2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide

C15H23N3O2 — CID 4599499

IUPAC2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-3-10(2)13(16)15(20)18-12(14(17)19)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyGBVAMMGFBVZXEA-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.57
Rot. Bonds7

About 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide (PubChem CID 4599499) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
PubChem CID4599499
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-3-10(2)13(16)15(20)18-12(14(17)19)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyGBVAMMGFBVZXEA-UHFFFAOYSA-N
XLogP0.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide 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,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
4-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
CID 18221848
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 18297709
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18296809
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 18296869
2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]propanoylamino]propanoic acid
CID 18296599
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid
CID 145456285
benzyl (4S)-5-amino-4-[[(2R,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoate
CID 7215195
4-[(2-amino-3-methylpentanoyl)amino]-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid
CID 18221710

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide (CID 4599499) is 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide?
The InChIKey is GBVAMMGFBVZXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-10(2)13(16)15(20)18-12(14(17)19)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide?
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide has a molecular weight of 277.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 4599499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).