(2S)-2-aminobutanamide;hydrochloride

C4H11ClN2O — CID 11961924

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

About (2S)-2-aminobutanamide;hydrochloride

(2S)-2-aminobutanamide;hydrochloride (PubChem CID 11961924) has the molecular formula C4H11ClN2O and a molecular weight of 138.60 g/mol. Its IUPAC name is (2S)-2-aminobutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminobutanamide;hydrochloride
PubChem CID11961924
Molecular FormulaC4H11ClN2O
Molecular Weight138.60 g/mol
Exact Mass138.06
IUPAC Name(2S)-2-aminobutanamide;hydrochloride
SMILESCC[C@H](N)C(N)=O.Cl
InChIInChI=1S/C4H10N2O.ClH/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1
InChIKeyHDBMIDJFXOYCGK-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanamide;hydrochloride?
The IUPAC name of (2S)-2-aminobutanamide;hydrochloride (CID 11961924) is (2S)-2-aminobutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-aminobutanamide;hydrochloride?
The canonical SMILES for (2S)-2-aminobutanamide;hydrochloride is CC[C@H](N)C(N)=O.Cl.
What is the InChIKey of (2S)-2-aminobutanamide;hydrochloride?
The InChIKey is HDBMIDJFXOYCGK-DFWYDOINSA-N. The full InChI is InChI=1S/C4H10N2O.ClH/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1.
What are the key properties of (2S)-2-aminobutanamide;hydrochloride?
(2S)-2-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 (2S)-2-aminobutanamide;hydrochloride is sourced from PubChem (CID 11961924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).