(2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid

C26H26N2O4 — CID 15984517

IUPAC(2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid
SMILESCc1ccccc1CN[C@@H](CCC(=O)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C26H26N2O4/c1-18-7-5-6-10-22(18)17-27-23(26(31)32)15-16-24(29)28-25(30)21-13-11-20(12-14-21)19-8-3-2-4-9-19/h2-14,23,27H,15-17H2,1H3,(H,31,32)(H,28,29,30)/t23-/m0/s1
InChIKeyPXMOKMLYCGPKMD-QHCPKHFHSA-N
MW430.50 g/mol
LogP3.94
Rot. Bonds9

About (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid

(2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid (PubChem CID 15984517) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid
PubChem CID15984517
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name(2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid
SMILESCc1ccccc1CN[C@@H](CCC(=O)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C26H26N2O4/c1-18-7-5-6-10-22(18)17-27-23(26(31)32)15-16-24(29)28-25(30)21-13-11-20(12-14-21)19-8-3-2-4-9-19/h2-14,23,27H,15-17H2,1H3,(H,31,32)(H,28,29,30)/t23-/m0/s1
InChIKeyPXMOKMLYCGPKMD-QHCPKHFHSA-N
XLogP3.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(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

(2S)-2-[(2,4-dichlorophenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid
CID 15984180
(2S)-2-[(3,4-dichlorophenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid
CID 15984182
(2S)-2-(benzylamino)-5-[[4-(furan-2-yl)benzoyl]amino]-5-oxopentanoic acid
CID 15984990
(2S)-5-oxo-5-[(4-phenylbenzoyl)amino]-2-[[3-(trifluoromethyl)phenyl]methylamino]pentanoic acid
CID 15984317
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-5-amino-2-[(2,4-dimethylphenyl)methylamino]-5-oxopentanoic acid
CID 67619717
4-methyl-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528381
ethane;(3S)-3-[(2-methylphenyl)methylamino]butan-2-one
CID 90780067
(2R)-2-[(2,3-dimethylphenyl)methylamino]-3-sulfanylpropanoic acid
CID 88686522
methyl 2-[(2-methylphenyl)methylamino]butanoate
CID 115353062
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid (CID 15984517) is (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid is Cc1ccccc1CN[C@@H](CCC(=O)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid?
The InChIKey is PXMOKMLYCGPKMD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18-7-5-6-10-22(18)17-27-23(26(31)32)15-16-24(29)28-25(30)21-13-11-20(12-14-21)19-8-3-2-4-9-19/h2-14,23,27H,15-17H2,1H3,(H,31,32)(H,28,29,30)/t23-/m0/s1.
What are the key properties of (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid?
(2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid has a molecular weight of 430.50 g/mol, XLogP of 3.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylphenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 15984517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).