(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid

C20H22N2O4 — CID 120614965

IUPAC(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-2-3-9-17(20(25)26)22-19(24)15-10-12-16(13-11-15)21-18(23)14-7-5-4-6-8-14/h4-8,10-13,17H,2-3,9H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t17-/m0/s1
InChIKeyUQGSAHRLZCWPDL-KRWDZBQOSA-N
MW354.41 g/mol
LogP3.31
Rot. Bonds8

About (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid

(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid (PubChem CID 120614965) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
PubChem CID120614965
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-2-3-9-17(20(25)26)22-19(24)15-10-12-16(13-11-15)21-18(23)14-7-5-4-6-8-14/h4-8,10-13,17H,2-3,9H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t17-/m0/s1
InChIKeyUQGSAHRLZCWPDL-KRWDZBQOSA-N
XLogP3.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
2-[(4-methylsulfanylbenzoyl)amino]hexanoic acid
CID 43387142
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
2-benzamido-4-ethylsulfonylbutanoic acid
CID 108731663
N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide
CID 70158027
(2S)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]hexanoic acid
CID 120614918
4-benzamido-N-ethylbenzamide
CID 17153265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid (CID 120614965) is (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid?
The InChIKey is UQGSAHRLZCWPDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-3-9-17(20(25)26)22-19(24)15-10-12-16(13-11-15)21-18(23)14-7-5-4-6-8-14/h4-8,10-13,17H,2-3,9H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid?
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid is sourced from PubChem (CID 120614965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).