5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid

C14H20N2O3 — CID 103870672

IUPAC5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)[C@@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19)6-5-9-16-13(17)12(15)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9,15H2,1H3,(H,16,17)(H,18,19)/t10?,12-/m0/s1
InChIKeyOPZOOQBTFGTUBU-KFJBMODSSA-N
MW264.32 g/mol
LogP1.30
Rot. Bonds7

About 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid

5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid (PubChem CID 103870672) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
PubChem CID103870672
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)[C@@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19)6-5-9-16-13(17)12(15)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9,15H2,1H3,(H,16,17)(H,18,19)/t10?,12-/m0/s1
InChIKeyOPZOOQBTFGTUBU-KFJBMODSSA-N
XLogP1.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic 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

5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 107836300
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid (CID 103870672) is 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid is CC(CCCNC(=O)[C@@H](N)c1ccccc1)C(=O)O.
What is the InChIKey of 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid?
The InChIKey is OPZOOQBTFGTUBU-KFJBMODSSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(14(18)19)6-5-9-16-13(17)12(15)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9,15H2,1H3,(H,16,17)(H,18,19)/t10?,12-/m0/s1.
What are the key properties of 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid?
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 103870672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).