(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid

C18H19NO3 — CID 126627406

IUPAC(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-2-6-16(18(21)22)19-17(20)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12,16H,2,6H2,1H3,(H,19,20)(H,21,22)/t16-/m1/s1
InChIKeyJGKMBUTUCYWBMQ-MRXNPFEDSA-N
MW297.35 g/mol
LogP3.34
Rot. Bonds6

About (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid

(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid (PubChem CID 126627406) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
PubChem CID126627406
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-2-6-16(18(21)22)19-17(20)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12,16H,2,6H2,1H3,(H,19,20)(H,21,22)/t16-/m1/s1
InChIKeyJGKMBUTUCYWBMQ-MRXNPFEDSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-phenylbenzoyl)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

2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
4-ethylsulfanyl-2-[(4-phenylbenzoyl)amino]butanoic acid
CID 108766780
(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
CID 113342255
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
2-benzamido-4-ethylsulfonylbutanoic acid
CID 108731663
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid (CID 126627406) is (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid?
The InChIKey is JGKMBUTUCYWBMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-6-16(18(21)22)19-17(20)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12,16H,2,6H2,1H3,(H,19,20)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid?
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 126627406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).