(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide

C12H19N3O — CID 110482503

IUPAC(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H19N3O/c1-8(2)6-11(14)12(16)15-10-5-3-4-9(13)7-10/h3-5,7-8,11H,6,13-14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyJTPXMQVGOMKPBC-NSHDSACASA-N
MW221.30 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide

(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide (PubChem CID 110482503) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
PubChem CID110482503
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H19N3O/c1-8(2)6-11(14)12(16)15-10-5-3-4-9(13)7-10/h3-5,7-8,11H,6,13-14H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyJTPXMQVGOMKPBC-NSHDSACASA-N
XLogP1.58
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(3-aminophenyl)-4-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)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-4-methyl-N-[3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119756858
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119814666
(2S)-2-amino-N-(3-aminophenyl)-4-ethylsulfanylbutanamide
CID 154120262

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide (CID 110482503) is (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1cccc(N)c1.
What is the InChIKey of (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide?
The InChIKey is JTPXMQVGOMKPBC-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)6-11(14)12(16)15-10-5-3-4-9(13)7-10/h3-5,7-8,11H,6,13-14H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide?
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide is sourced from PubChem (CID 110482503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).