(3R)-3-amino-N-methylbutanamide;hydrochloride

C5H13ClN2O — CID 87931451

IUPAC(3R)-3-amino-N-methylbutanamide;hydrochloride
SMILESCNC(=O)C[C@@H](C)N.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-4(6)3-5(8)7-2;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyNQEFXRFCVFZOIM-PGMHMLKASA-N
MW152.62 g/mol
LogP-0.11
Rot. Bonds2

About (3R)-3-amino-N-methylbutanamide;hydrochloride

(3R)-3-amino-N-methylbutanamide;hydrochloride (PubChem CID 87931451) has the molecular formula C5H13ClN2O and a molecular weight of 152.62 g/mol. Its IUPAC name is (3R)-3-amino-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-N-methylbutanamide;hydrochloride
PubChem CID87931451
Molecular FormulaC5H13ClN2O
Molecular Weight152.62 g/mol
Exact Mass152.07
IUPAC Name(3R)-3-amino-N-methylbutanamide;hydrochloride
SMILESCNC(=O)C[C@@H](C)N.Cl
InChIInChI=1S/C5H12N2O.ClH/c1-4(6)3-5(8)7-2;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyNQEFXRFCVFZOIM-PGMHMLKASA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
(3S)-3-amino-N-methyl-4-oxobutanamide
CID 57098200
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107852756
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
(3S)-N-methyl-3-methylsulfanylbutanamide
CID 58528328
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-methylbutanamide;hydrochloride?
The IUPAC name of (3R)-3-amino-N-methylbutanamide;hydrochloride (CID 87931451) is (3R)-3-amino-N-methylbutanamide;hydrochloride.
What is the SMILES notation for (3R)-3-amino-N-methylbutanamide;hydrochloride?
The canonical SMILES for (3R)-3-amino-N-methylbutanamide;hydrochloride is CNC(=O)C[C@@H](C)N.Cl.
What is the InChIKey of (3R)-3-amino-N-methylbutanamide;hydrochloride?
The InChIKey is NQEFXRFCVFZOIM-PGMHMLKASA-N. The full InChI is InChI=1S/C5H12N2O.ClH/c1-4(6)3-5(8)7-2;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m1./s1.
What are the key properties of (3R)-3-amino-N-methylbutanamide;hydrochloride?
(3R)-3-amino-N-methylbutanamide;hydrochloride has a molecular weight of 152.62 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 87931451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).