l-[-]-4-Hydroxy-1-methylproline

Details

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Internal ID f0b86a4f-515c-4223-ae4b-37001128b0ba
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Proline and derivatives
IUPAC Name 4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
SMILES (Canonical) CN1CC(CC1C(=O)O)O
SMILES (Isomeric) CN1CC(CC1C(=O)O)O
InChI InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChI Key FMIPNAUMSPFTHK-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C6H11NO3
Molecular Weight 145.16 g/mol
Exact Mass 145.07389321 g/mol
Topological Polar Surface Area (TPSA) 60.80 Ų
XlogP -2.90

Synonyms

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NSC40250
MEGxp0_001961
SCHEMBL1303907
l-[-]-4-Hydroxy-1-methylproline
NSC-40250
AKOS000280645
AKOS022634183
SY279078
FT-0698801
4-hydroxy-1-methyl pyrrolidine-2-carboxylic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of l-[-]-4-Hydroxy-1-methylproline

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 95.18% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.03% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.17% 97.25%
CHEMBL340 P08684 Cytochrome P450 3A4 81.78% 91.19%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.62% 93.00%
CHEMBL1907598 P05106 Integrin alpha-V/beta-3 80.42% 95.71%

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.
Acritopappus longifolius
Capsicum annuum
Copaifera multijuga
Croton megalobotrys
Ipomoea carnea
Melaleuca lanceolata
Toddalia asiatica
Trichilia claussenii

Cross-Links

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PubChem 237040
LOTUS LTS0081988
wikiData Q104166527