(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid

C16H19N3O4 — CID 97206305

IUPAC(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C16H19N3O4/c1-10-4-5-11(9-13(10)19-8-6-17-16(19)23)14(20)18-7-2-3-12(18)15(21)22/h4-5,9,12H,2-3,6-8H2,1H3,(H,17,23)(H,21,22)/t12-/m1/s1
InChIKeyXJCACUVIXXSDAI-GFCCVEGCSA-N
MW317.35 g/mol
LogP1.21
Rot. Bonds3

About (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 97206305) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID97206305
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C16H19N3O4/c1-10-4-5-11(9-13(10)19-8-6-17-16(19)23)14(20)18-7-2-3-12(18)15(21)22/h4-5,9,12H,2-3,6-8H2,1H3,(H,17,23)(H,21,22)/t12-/m1/s1
InChIKeyXJCACUVIXXSDAI-GFCCVEGCSA-N
XLogP1.21
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 61159154
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
1-(3-iodo-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119357048
1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 70761074
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934
1-[2-methyl-5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97156710
1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61157126
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid (CID 97206305) is (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid is Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1N1CCNC1=O.
What is the InChIKey of (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XJCACUVIXXSDAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-4-5-11(9-13(10)19-8-6-17-16(19)23)14(20)18-7-2-3-12(18)15(21)22/h4-5,9,12H,2-3,6-8H2,1H3,(H,17,23)(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 97206305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).