1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid

C8H11N3O3 — CID 119057813

IUPAC1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC[C@@H](C(=O)O)N1.c1c[nH]cn1
InChIInChI=1S/C5H7NO3.C3H4N2/c7-4-2-1-3(6-4)5(8)9;1-2-5-3-4-1/h3H,1-2H2,(H,6,7)(H,8,9);1-3H,(H,4,5)/t3-;/m0./s1
InChIKeyGDXICBKVGXZAAS-DFWYDOINSA-N
MW197.19 g/mol
LogP-0.24
Rot. Bonds1

About 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid

1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 119057813) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID119057813
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC[C@@H](C(=O)O)N1.c1c[nH]cn1
InChIInChI=1S/C5H7NO3.C3H4N2/c7-4-2-1-3(6-4)5(8)9;1-2-5-3-4-1/h3H,1-2H2,(H,6,7)(H,8,9);1-3H,(H,4,5)/t3-;/m0./s1
InChIKeyGDXICBKVGXZAAS-DFWYDOINSA-N
XLogP-0.24
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid
CID 46237587
US9144538, Glutamylamidoethyl
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(R)-2-Amino-5-[N''-(1H-imidazol-2-ylmethyl)-guanidino]-pentanoic acid
CID 44331525
(2R)-2-amino-5-[[amino-[2-(1H-imidazol-2-yl)ethylamino]methylidene]amino]pentanoic acid
CID 44331546
1-Ethyl-3-methyl-1H-imidazol-3-ium L-prolinate
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1-Butyl-3-methylimidazolium l-prolinate
CID 129846581
(4S)-4-amino-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-L-proline
CID 70748216
(2S,4S)-4-(3-methylimidazol-3-ium-1-yl)pyrrolidine-2-carboxylic acid
CID 45102855
5-[3-(1H-imidazol-3-ium-3-yl)propylamino]-5-oxopentanoic acid
CID 139212099
1-Butyl-3-vinylimidazolium prolinate
CID 155490287
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874332
(2S,4R)-4-(dimethylamino)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 50974226

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid (CID 119057813) is 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid is O=C1CC[C@@H](C(=O)O)N1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is GDXICBKVGXZAAS-DFWYDOINSA-N. The full InChI is InChI=1S/C5H7NO3.C3H4N2/c7-4-2-1-3(6-4)5(8)9;1-2-5-3-4-1/h3H,1-2H2,(H,6,7)(H,8,9);1-3H,(H,4,5)/t3-;/m0./s1.
What are the key properties of 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid?
1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;(2S)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119057813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).