1-Methylpyrrolidine-2-carboxylic acid

Details

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Internal ID 3df3cbe0-d7cb-468f-95ff-6410a431bdc0
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Proline and derivatives
IUPAC Name 1-methylpyrrolidine-2-carboxylic acid
SMILES (Canonical) CN1CCCC1C(=O)O
SMILES (Isomeric) CN1CCCC1C(=O)O
InChI InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChI Key CWLQUGTUXBXTLF-UHFFFAOYSA-N
Popularity 49 references in papers

Physical and Chemical Properties

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Molecular Formula C6H11NO2
Molecular Weight 129.16 g/mol
Exact Mass 129.078978594 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP -1.90

Synonyms

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68078-09-1
1-Methyl-pyrrolidine-2-carboxylic acid
1-Methyl-DL-proline
N-Me-Pro-OH
N-methylproline
methylproline
D-Proline, 1-methyl-
L-Proline, 1-methyl-
proline, 1-methyl-
MFCD00011565
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Methylpyrrolidine-2-carboxylic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 95.69% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.64% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.26% 97.25%
CHEMBL2581 P07339 Cathepsin D 87.87% 98.95%
CHEMBL274 P51681 C-C chemokine receptor type 5 85.36% 98.77%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 84.71% 98.46%
CHEMBL5203 P33316 dUTP pyrophosphatase 84.02% 99.18%
CHEMBL4979 P13866 Sodium/glucose cotransporter 1 83.15% 98.24%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 83.00% 93.04%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.54% 95.56%
CHEMBL4208 P20618 Proteasome component C5 80.38% 90.00%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 80.35% 93.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Casimiroa edulis
Tamarix parviflora
Trichilia claussenii

Cross-Links

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PubChem 557
LOTUS LTS0230271
wikiData Q3596761