(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide

C13H28N2O2 — CID 103833109

IUPAC(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
SMILESCCC(CC)C(O)CNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C13H28N2O2/c1-5-9(4)12(14)13(17)15-8-11(16)10(6-2)7-3/h9-12,16H,5-8,14H2,1-4H3,(H,15,17)/t9?,11?,12-/m0/s1
InChIKeyINCKEQZRKQOYIG-NHNAUAITSA-N
MW244.38 g/mol
LogP1.27
Rot. Bonds8

About (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide

(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide (PubChem CID 103833109) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
PubChem CID103833109
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
SMILESCCC(CC)C(O)CNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C13H28N2O2/c1-5-9(4)12(14)13(17)15-8-11(16)10(6-2)7-3/h9-12,16H,5-8,14H2,1-4H3,(H,15,17)/t9?,11?,12-/m0/s1
InChIKeyINCKEQZRKQOYIG-NHNAUAITSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-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-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
CID 119799959
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide (CID 103833109) is (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide is CCC(CC)C(O)CNC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide?
The InChIKey is INCKEQZRKQOYIG-NHNAUAITSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-9(4)12(14)13(17)15-8-11(16)10(6-2)7-3/h9-12,16H,5-8,14H2,1-4H3,(H,15,17)/t9?,11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide?
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.27, 8 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-ethyl-2-hydroxypentyl)-3-methylpentanamide is sourced from PubChem (CID 103833109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).