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

C12H27ClN2O2 — CID 119790717

IUPAC(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
SMILESCCC(CCO)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-4-10(5-6-15)8-14-12(16)11(13)7-9(2)3;/h9-11,15H,4-8,13H2,1-3H3,(H,14,16);1H/t10?,11-;/m0./s1
InChIKeyKXMUEURTROSRPZ-GQNCZFCYSA-N
MW266.81 g/mol
LogP1.31
Rot. Bonds8

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

(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride (PubChem CID 119790717) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
PubChem CID119790717
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
SMILESCCC(CCO)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-4-10(5-6-15)8-14-12(16)11(13)7-9(2)3;/h9-11,15H,4-8,13H2,1-3H3,(H,14,16);1H/t10?,11-;/m0./s1
InChIKeyKXMUEURTROSRPZ-GQNCZFCYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
CID 11185289
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
CID 119327618
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
CID 114350596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride (CID 119790717) is (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride is CCC(CCO)CNC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride?
The InChIKey is KXMUEURTROSRPZ-GQNCZFCYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-4-10(5-6-15)8-14-12(16)11(13)7-9(2)3;/h9-11,15H,4-8,13H2,1-3H3,(H,14,16);1H/t10?,11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.31, 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-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119790717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).