(3S)-3-aminobutanamide;hydrochloride

C4H11ClN2O — CID 57478871

IUPAC(3S)-3-aminobutanamide;hydrochloride
SMILESC[C@H](N)CC(N)=O.Cl
InChIInChI=1S/C4H10N2O.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1
InChIKeyABHVFCMTYGXRQP-DFWYDOINSA-N
MW138.60 g/mol
LogP-0.37
Rot. Bonds2

About (3S)-3-aminobutanamide;hydrochloride

(3S)-3-aminobutanamide;hydrochloride (PubChem CID 57478871) has the molecular formula C4H11ClN2O and a molecular weight of 138.60 g/mol. Its IUPAC name is (3S)-3-aminobutanamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-aminobutanamide;hydrochloride
PubChem CID57478871
Molecular FormulaC4H11ClN2O
Molecular Weight138.60 g/mol
Exact Mass138.06
IUPAC Name(3S)-3-aminobutanamide;hydrochloride
SMILESC[C@H](N)CC(N)=O.Cl
InChIInChI=1S/C4H10N2O.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1
InChIKeyABHVFCMTYGXRQP-DFWYDOINSA-N
XLogP-0.37
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
3-methylbutanamide
CID 87933309
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(5S)-5-aminohexanamide;hydrochloride
CID 174367343
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
(2R)-4-amino-2-(3-aminobutanoylamino)-4-oxobutanoic acid
CID 103870227
2-aminobenzoic acid;3-aminobutanamide
CID 175052233
4-hydroxy-3-methylpentanamide
CID 21402958
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
2-aminopropanamide;dihydrochloride
CID 19963402
2-(propan-2-ylamino)butanediamide
CID 66427979
3-amino-5-hydroxypentanamide
CID 154064496

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminobutanamide;hydrochloride?
The IUPAC name of (3S)-3-aminobutanamide;hydrochloride (CID 57478871) is (3S)-3-aminobutanamide;hydrochloride.
What is the SMILES notation for (3S)-3-aminobutanamide;hydrochloride?
The canonical SMILES for (3S)-3-aminobutanamide;hydrochloride is C[C@H](N)CC(N)=O.Cl.
What is the InChIKey of (3S)-3-aminobutanamide;hydrochloride?
The InChIKey is ABHVFCMTYGXRQP-DFWYDOINSA-N. The full InChI is InChI=1S/C4H10N2O.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1.
What are the key properties of (3S)-3-aminobutanamide;hydrochloride?
(3S)-3-aminobutanamide;hydrochloride has a molecular weight of 138.60 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminobutanamide;hydrochloride is sourced from PubChem (CID 57478871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).