(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride

C11H25ClN2O — CID 119709105

IUPAC(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-8(2)6-9(12)10(14)13-7-11(3,4)5;/h8-9H,6-7,12H2,1-5H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyNEZCPIVCJSDPKZ-FVGYRXGTSA-N
MW236.79 g/mol
LogP1.94
Rot. Bonds4

About (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride (PubChem CID 119709105) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
PubChem CID119709105
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-8(2)6-9(12)10(14)13-7-11(3,4)5;/h8-9H,6-7,12H2,1-5H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyNEZCPIVCJSDPKZ-FVGYRXGTSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
CID 113266912
(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide
CID 22689913
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride (CID 119709105) is (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCC(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride?
The InChIKey is NEZCPIVCJSDPKZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-8(2)6-9(12)10(14)13-7-11(3,4)5;/h8-9H,6-7,12H2,1-5H3,(H,13,14);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119709105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).