2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid

C20H22N2O4 — CID 2883262

IUPAC2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-3-13(2)17(20(25)26)22-19(24)15-11-7-8-12-16(15)21-18(23)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyJSYWEFSXSAYLEY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds7

About 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid

2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid (PubChem CID 2883262) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid
PubChem CID2883262
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-3-13(2)17(20(25)26)22-19(24)15-11-7-8-12-16(15)21-18(23)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyJSYWEFSXSAYLEY-UHFFFAOYSA-N
XLogP3.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15649435
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Cyclopeptine
CID 179574
(2S)-Cyclohexyl({[4-fluoro-2-({[(2,4,6-trimethylphenyl)amino]carbonyl}amino)phenyl]carbonyl}amino)ethanoic acid
CID 25218530
(2S)-cyclohexyl({[2-({[(4-ethyl-2,6-dimethylphenyl)amino]carbonyl}amino)-4-fluorophenyl]carbonyl}amino)ethanoic acid
CID 25218531
(2S)-cyclohexyl({[2-({[(2,6-dimethyl-4-propylphenyl)amino]carbonyl}amino)-4-fluorophenyl]carbonyl}amino)ethanoic acid
CID 25218532
(2S)-cyclohexyl[({2-[({[4-(cyclopropylmethyl)-2,6-dimethylphenyl]amino}carbonyl)amino]-4-fluorophenyl}carbonyl)amino]ethanoic acid
CID 25218533
(2S)-({[2-({[(4-butyl-2,6-dimethylphenyl)amino]carbonyl}amino)-4-fluorophenyl]carbonyl}amino)(cyclohexyl)ethanoic acid
CID 25218534
2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid
CID 1841495
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497
Methyl n-(2-aminobenzoyl)glycinate
CID 273128
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid (CID 2883262) is 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid?
The InChIKey is JSYWEFSXSAYLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-13(2)17(20(25)26)22-19(24)15-11-7-8-12-16(15)21-18(23)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid?
2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 2883262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).