(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride

C13H29ClN2O2 — CID 119783564

IUPAC(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
SMILESCCC(CC)C(O)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-5-10(6-2)12(16)8-15-13(17)11(14)7-9(3)4;/h9-12,16H,5-8,14H2,1-4H3,(H,15,17);1H/t11-,12?;/m0./s1
InChIKeyAMIVLXGEQXAULO-YLIVSKOQSA-N
MW280.84 g/mol
LogP1.69
Rot. Bonds8

About (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride (PubChem CID 119783564) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
PubChem CID119783564
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC Name(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
SMILESCCC(CC)C(O)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-5-10(6-2)12(16)8-15-13(17)11(14)7-9(3)4;/h9-12,16H,5-8,14H2,1-4H3,(H,15,17);1H/t11-,12?;/m0./s1
InChIKeyAMIVLXGEQXAULO-YLIVSKOQSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
CID 11185289
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride (CID 119783564) is (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride is CCC(CC)C(O)CNC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride?
The InChIKey is AMIVLXGEQXAULO-YLIVSKOQSA-N. The full InChI is InChI=1S/C13H28N2O2.ClH/c1-5-10(6-2)12(16)8-15-13(17)11(14)7-9(3)4;/h9-12,16H,5-8,14H2,1-4H3,(H,15,17);1H/t11-,12?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 1.69, 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)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119783564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).