2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride

C12H27ClN2O2 — CID 119799959

IUPAC2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(C)CC(C)O.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-5-9(3)11(13)12(16)14-7-8(2)6-10(4)15;/h8-11,15H,5-7,13H2,1-4H3,(H,14,16);1H
InChIKeyURAOUIWMIQGPHE-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.30
Rot. Bonds7

About 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride

2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride (PubChem CID 119799959) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
PubChem CID119799959
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(C)CC(C)O.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-5-9(3)11(13)12(16)14-7-8(2)6-10(4)15;/h8-11,15H,5-7,13H2,1-4H3,(H,14,16);1H
InChIKeyURAOUIWMIQGPHE-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(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-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
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
(3R)-3-[[[(2R,3S)-2-amino-3-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 124678536

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride (CID 119799959) is 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(C)CC(C)O.Cl.
What is the InChIKey of 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride?
The InChIKey is URAOUIWMIQGPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-5-9(3)11(13)12(16)14-7-8(2)6-10(4)15;/h8-11,15H,5-7,13H2,1-4H3,(H,14,16);1H.
What are the key properties of 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride?
2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-2-methylpentyl)-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119799959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).