(3S)-3-(methylamino)butanoic acid;hydrochloride

C5H12ClNO2 — CID 146050309

IUPAC(3S)-3-(methylamino)butanoic acid;hydrochloride
SMILESCN[C@@H](C)CC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyIDYRLRYWPQNZMO-WCCKRBBISA-N
MW153.61 g/mol
LogP0.49
Rot. Bonds3

About (3S)-3-(methylamino)butanoic acid;hydrochloride

(3S)-3-(methylamino)butanoic acid;hydrochloride (PubChem CID 146050309) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (3S)-3-(methylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(methylamino)butanoic acid;hydrochloride
PubChem CID146050309
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(3S)-3-(methylamino)butanoic acid;hydrochloride
SMILESCN[C@@H](C)CC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyIDYRLRYWPQNZMO-WCCKRBBISA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)butanoic acid;hydrochloride?
The IUPAC name of (3S)-3-(methylamino)butanoic acid;hydrochloride (CID 146050309) is (3S)-3-(methylamino)butanoic acid;hydrochloride.
What is the SMILES notation for (3S)-3-(methylamino)butanoic acid;hydrochloride?
The canonical SMILES for (3S)-3-(methylamino)butanoic acid;hydrochloride is CN[C@@H](C)CC(=O)O.Cl.
What is the InChIKey of (3S)-3-(methylamino)butanoic acid;hydrochloride?
The InChIKey is IDYRLRYWPQNZMO-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of (3S)-3-(methylamino)butanoic acid;hydrochloride?
(3S)-3-(methylamino)butanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 146050309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).