1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid

C11H15N3O3 — CID 62873840

IUPAC1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C11H15N3O3/c15-10-3-2-9(11(16)17)14(10)6-1-5-13-7-4-12-8-13/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyGPTXJSKKAWVLOD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.35
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid

1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 62873840) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID62873840
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C11H15N3O3/c15-10-3-2-9(11(16)17)14(10)6-1-5-13-7-4-12-8-13/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyGPTXJSKKAWVLOD-UHFFFAOYSA-N
XLogP0.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
(2S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739107
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
(4aS,8aR)-1-(3-imidazol-1-ylpropyl)-6-(1H-pyrrole-2-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56905993
(4aS,8aR)-1-(3-imidazol-1-ylpropyl)-N,N-dimethyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-sulfonamide
CID 56902890
1-(2-butylsulfanylethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 19370197
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
(2S,4R)-4-hydroxy-1-(3-imidazol-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63843030
3-(3-imidazol-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3847585

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid (CID 62873840) is 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is GPTXJSKKAWVLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-3-2-9(11(16)17)14(10)6-1-5-13-7-4-12-8-13/h4,7-9H,1-3,5-6H2,(H,16,17).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid?
1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62873840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).