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

C19H21NO3 — CID 17380410

IUPAC4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(2)12-17(19(22)23)20-18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKDGNUAXXLOXXLN-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.58
Rot. Bonds6

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

4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid (PubChem CID 17380410) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
PubChem CID17380410
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(2)12-17(19(22)23)20-18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKDGNUAXXLOXXLN-UHFFFAOYSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-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

(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid (CID 17380410) is 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid?
The InChIKey is KDGNUAXXLOXXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)12-17(19(22)23)20-18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid?
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 17380410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).