(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide

C13H26N2O — CID 64907204

IUPAC(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-5-8(2)12(14)13(16)15-11-7-6-9(3)10(11)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)/t8?,9?,10?,11?,12-/m0/s1
InChIKeyBEECNWXNQBVDSM-SXVYVOEYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds4

About (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide

(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide (PubChem CID 64907204) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide
PubChem CID64907204
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-5-8(2)12(14)13(16)15-11-7-6-9(3)10(11)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)/t8?,9?,10?,11?,12-/m0/s1
InChIKeyBEECNWXNQBVDSM-SXVYVOEYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-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)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide
CID 64907207
(2S,3S)-2-amino-3-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281460
2-amino-N-(2,3-dimethylcyclopentyl)propanamide
CID 64909126
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102629465
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
(2S)-2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpentanamide
CID 61173160
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
CID 61155991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide (CID 64907204) is (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC1CCC(C)C1C.
What is the InChIKey of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide?
The InChIKey is BEECNWXNQBVDSM-SXVYVOEYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-8(2)12(14)13(16)15-11-7-6-9(3)10(11)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)/t8?,9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide?
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide is sourced from PubChem (CID 64907204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).