(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride

C12H27ClN2O2 — CID 119784033

IUPAC(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-6-8(2)9(15)7-14-11(16)10(13)12(3,4)5;/h8-10,15H,6-7,13H2,1-5H3,(H,14,16);1H/t8?,9?,10-;/m1./s1
InChIKeyHBSAGKXYZCFIOP-ZSZPEYCFSA-N
MW266.81 g/mol
LogP1.30
Rot. Bonds5

About (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119784033) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119784033
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-6-8(2)9(15)7-14-11(16)10(13)12(3,4)5;/h8-10,15H,6-7,13H2,1-5H3,(H,14,16);1H/t8?,9?,10-;/m1./s1
InChIKeyHBSAGKXYZCFIOP-ZSZPEYCFSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
CID 119725363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride (CID 119784033) is (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride is CCC(C)C(O)CNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is HBSAGKXYZCFIOP-ZSZPEYCFSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-6-8(2)9(15)7-14-11(16)10(13)12(3,4)5;/h8-10,15H,6-7,13H2,1-5H3,(H,14,16);1H/t8?,9?,10-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.30, 5 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-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119784033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).