Oxamic Acid

Details

• Internal ID: 02618fcd-5564-4733-b0ae-14781c47aa74
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: oxamic acid
• InChI: InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
• InChI Key: SOWBFZRMHSNYGE-UHFFFAOYSA-N
• Popularity: 1,439 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂H₃NO₃
• Molecular Weight: 89.05 g/mol
• Exact Mass: 89.011292958 g/mol
• Topological Polar Surface Area (TPSA): 80.40 Ų
• XlogP: -0.90
• Atomic LogP (AlogP): -1.44
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Rotatable Bonds: 0

Synonyms

• 471-47-6
• 2-Amino-2-oxoacetic acid
• oxamate
• Acetic acid, aminooxo-
• Oxalamic acid
• Oxalic acid monoamide
• Aminooxoacetic acid
• Glycine, 2-oxo-
• Oxamidic acid
• amino(oxo)acetic acid
• carbamoylformic acid
• Formic acid, (aminocarbonyl)-
• Glyoxylic acid, amino-
• Formic acid, carbamoyl-
• Oxamate, (aminocarbonyl)-
• QU60N5OPLG
• CHEBI:18058
• MFCD00008006
• NSC-47001
• Oxamate (repellent)
• C2H3NO3
• OXM
• OXAMICACID
• NSC-49416
• NSC-53102
• UNII-QU60N5OPLG
• Oxamate (insect repellant)
• carboxy amide
• Oxalic monoamide
• Oxamate, 3
• EINECS 207-443-0
• NSC 47001
• AI3-52243
• Oxamic acid, >=98%
• OXAMIC ACID [MI]
• IN-18474 oxamic acid
• Lopac0_000913
• KBioGR_002316
• KBioSS_002318
• CHEMBL15976
• Acetic acid, 2-amino-2-oxo-
• DTXSID6060052
• BDBM23222
• KBio2_002316
• KBio2_004884
• KBio2_007452
• KBio3_002796
• cMAP_000019
• SOWBFZRMHSNYGE-UHFFFAOYSA-N
• NSC47001
• AKOS009156490
• CS-W013748
• DB03940
• SDCCGSBI-0050888.P002
• 66257-53-2
• AS-58193
• SY012751
• FT-0632178
• O0084
• C01444
• EN300-113507
• A872204
• Q27094801
• 0DF4C36B-13CB-4AB3-8E3A-62D7C14449F1
• Z424779074
• HGY

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.8679	86.79%
Caco-2	-	0.7663	76.63%
Blood Brain Barrier	+	0.9000	90.00%
Human oral bioavailability	+	0.6143	61.43%
Subcellular localzation	Mitochondria	0.5769	57.69%
OATP2B1 inhibitior	-	1.0000	100.00%
OATP1B1 inhibitior	+	0.9851	98.51%
OATP1B3 inhibitior	+	0.9571	95.71%
MATE1 inhibitior	-	0.9800	98.00%
OCT2 inhibitior	-	1.0000	100.00%
BSEP inhibitior	-	0.9682	96.82%
P-glycoprotein inhibitior	-	0.9875	98.75%
P-glycoprotein substrate	-	0.9956	99.56%
CYP3A4 substrate	-	0.8526	85.26%
CYP2C9 substrate	-	0.6206	62.06%
CYP2D6 substrate	-	0.8863	88.63%
CYP3A4 inhibition	-	0.9764	97.64%
CYP2C9 inhibition	-	0.9667	96.67%
CYP2C19 inhibition	-	0.9694	96.94%
CYP2D6 inhibition	-	0.9565	95.65%
CYP1A2 inhibition	-	0.9675	96.75%
CYP2C8 inhibition	-	0.9960	99.60%
CYP inhibitory promiscuity	-	0.9972	99.72%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.6266	62.66%
Carcinogenicity (trinary)	Non-required	0.6425	64.25%
Eye corrosion	-	0.9676	96.76%
Eye irritation	+	0.9542	95.42%
Skin irritation	-	0.6995	69.95%
Skin corrosion	-	0.9833	98.33%
Ames mutagenesis	-	0.9000	90.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.8618	86.18%
Micronuclear	+	0.6300	63.00%
Hepatotoxicity	+	0.8875	88.75%
skin sensitisation	-	0.9368	93.68%
Respiratory toxicity	-	0.5778	57.78%
Reproductive toxicity	-	0.5111	51.11%
Mitochondrial toxicity	-	0.6375	63.75%
Nephrotoxicity	+	0.4587	45.87%
Acute Oral Toxicity (c)	IV	0.6656	66.56%
Estrogen receptor binding	-	0.9613	96.13%
Androgen receptor binding	-	0.9306	93.06%
Thyroid receptor binding	-	0.8563	85.63%
Glucocorticoid receptor binding	-	0.9380	93.80%
Aromatase binding	-	0.9161	91.61%
PPAR gamma	-	0.9350	93.50%
Honey bee toxicity	-	0.9691	96.91%
Biodegradation	+	0.6500	65.00%
Crustacea aquatic toxicity	-	0.9600	96.00%
Fish aquatic toxicity	-	0.8648	86.48%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.81%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 974
• LOTUS: LTS0008427
• wikiData: Q27094801