2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid

C16H22N2O4 — CID 120534623

IUPAC2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-4-5-13(16(21)22)18-15(20)12-8-6-11(7-9-12)14(19)17-10(2)3/h6-10,13H,4-5H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyBWGAQHMSLPFHLA-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.81
Rot. Bonds7

About 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid

2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid (PubChem CID 120534623) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
PubChem CID120534623
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-4-5-13(16(21)22)18-15(20)12-8-6-11(7-9-12)14(19)17-10(2)3/h6-10,13H,4-5H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyBWGAQHMSLPFHLA-UHFFFAOYSA-N
XLogP1.81
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic 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

(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
CID 113342255
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
2-[(4-methylsulfanylbenzoyl)amino]hexanoic acid
CID 43387142

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid (CID 120534623) is 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid is CCCC(NC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid?
The InChIKey is BWGAQHMSLPFHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-5-13(16(21)22)18-15(20)12-8-6-11(7-9-12)14(19)17-10(2)3/h6-10,13H,4-5H2,1-3H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid?
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid has a molecular weight of 306.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 120534623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).