2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid

C15H19N3O4 — CID 67392326

IUPAC2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCc1ccc(C(=O)NC2CNC(C(=O)NCC(=O)O)C2)cc1
InChIInChI=1S/C15H19N3O4/c1-9-2-4-10(5-3-9)14(21)18-11-6-12(16-7-11)15(22)17-8-13(19)20/h2-5,11-12,16H,6-8H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyOZQSJPIYHWOUNC-UHFFFAOYSA-N
MW305.33 g/mol
LogP-0.34
Rot. Bonds5

About 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid

2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 67392326) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID67392326
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCc1ccc(C(=O)NC2CNC(C(=O)NCC(=O)O)C2)cc1
InChIInChI=1S/C15H19N3O4/c1-9-2-4-10(5-3-9)14(21)18-11-6-12(16-7-11)15(22)17-8-13(19)20/h2-5,11-12,16H,6-8H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyOZQSJPIYHWOUNC-UHFFFAOYSA-N
XLogP-0.34
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic 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

2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
CID 67392265
3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid
CID 67392953
(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid
CID 69063228
(2S,4R)-N-(1,1-dioxothian-4-yl)-N-methyl-4-[(4-methylbenzoyl)amino]pyrrolidine-2-carboxamide
CID 50975964
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
N-cyclooctyl-4-methylbenzamide
CID 3995245
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
CID 64751228
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
5-benzamidopiperidine-2-carboxylic acid
CID 66965508

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid (CID 67392326) is 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid is Cc1ccc(C(=O)NC2CNC(C(=O)NCC(=O)O)C2)cc1.
What is the InChIKey of 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is OZQSJPIYHWOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-2-4-10(5-3-9)14(21)18-11-6-12(16-7-11)15(22)17-8-13(19)20/h2-5,11-12,16H,6-8H2,1H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 305.33 g/mol, XLogP of -0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 67392326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).