(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride

C6H15ClN2O — CID 87874249

IUPAC(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
SMILESCN[C@H](C(N)=O)C(C)C.Cl
InChIInChI=1S/C6H14N2O.ClH/c1-4(2)5(8-3)6(7)9;/h4-5,8H,1-3H3,(H2,7,9);1H/t5-;/m0./s1
InChIKeyBJMTZSJCWBZDIZ-JEDNCBNOSA-N
MW166.65 g/mol
LogP0.14
Rot. Bonds3

About (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride

(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride (PubChem CID 87874249) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
PubChem CID87874249
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Name(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
SMILESCN[C@H](C(N)=O)C(C)C.Cl
InChIInChI=1S/C6H14N2O.ClH/c1-4(2)5(8-3)6(7)9;/h4-5,8H,1-3H3,(H2,7,9);1H/t5-;/m0./s1
InChIKeyBJMTZSJCWBZDIZ-JEDNCBNOSA-N
XLogP0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(sulfanylamino)butanamide
CID 166473642
2-(methylamino)propanamide;hydrochloride
CID 71433439
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
3-ethyl-2-(methylamino)pentanamide
CID 61318910
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
methane;4-methyl-3-(methylamino)pentan-2-one
CID 158029280
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
3-methyl-2-(propanoylamino)butanamide
CID 22574980

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride?
The IUPAC name of (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride (CID 87874249) is (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride?
The canonical SMILES for (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride is CN[C@H](C(N)=O)C(C)C.Cl.
What is the InChIKey of (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride?
The InChIKey is BJMTZSJCWBZDIZ-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O.ClH/c1-4(2)5(8-3)6(7)9;/h4-5,8H,1-3H3,(H2,7,9);1H/t5-;/m0./s1.
What are the key properties of (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride?
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride has a molecular weight of 166.65 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 87874249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).