4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid

C16H24N2O3 — CID 61162447

IUPAC4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid
SMILESCCC(C)C(N)C(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-11(2)15(17)16(21)18-13(9-10-14(19)20)12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGXDDHCQBESVDTF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.08
Rot. Bonds8

About 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid

4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid (PubChem CID 61162447) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid
PubChem CID61162447
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid
SMILESCCC(C)C(N)C(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-11(2)15(17)16(21)18-13(9-10-14(19)20)12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGXDDHCQBESVDTF-UHFFFAOYSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic 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-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169
4-[(2-amino-3-methylpentanoyl)amino]-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid
CID 18221710
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
4-(2,4-dimethylpent-4-enoylamino)-4-phenylbutanoic acid
CID 120686341
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]pentanedioic acid
CID 7009625

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid (CID 61162447) is 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid is CCC(C)C(N)C(=O)NC(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid?
The InChIKey is GXDDHCQBESVDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-11(2)15(17)16(21)18-13(9-10-14(19)20)12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid?
4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid is sourced from PubChem (CID 61162447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).