(3S)-4-amino-3-hydroxybutanoic acid;hydrochloride

C4H10ClNO3 — CID 122360186

IUPAC(3S)-4-amino-3-hydroxybutanoic acid;hydrochloride
SMILESCl.NC[C@@H](O)CC(=O)O
InChIInChI=1S/C4H9NO3.ClH/c5-2-3(6)1-4(7)8;/h3,6H,1-2,5H2,(H,7,8);1H/t3-;/m0./s1
InChIKeyIRKCMMXRSVXEPT-DFWYDOINSA-N
MW155.58 g/mol
LogP-0.80
Rot. Bonds3

About (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride

(3S)-4-amino-3-hydroxybutanoic acid;hydrochloride (PubChem CID 122360186) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-4-amino-3-hydroxybutanoic acid;hydrochloride
PubChem CID122360186
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Name(3S)-4-amino-3-hydroxybutanoic acid;hydrochloride
SMILESCl.NC[C@@H](O)CC(=O)O
InChIInChI=1S/C4H9NO3.ClH/c5-2-3(6)1-4(7)8;/h3,6H,1-2,5H2,(H,7,8);1H/t3-;/m0./s1
InChIKeyIRKCMMXRSVXEPT-DFWYDOINSA-N
XLogP-0.80
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride?
The IUPAC name of (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride (CID 122360186) is (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride.
What is the SMILES notation for (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride?
The canonical SMILES for (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride is Cl.NC[C@@H](O)CC(=O)O.
What is the InChIKey of (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride?
The InChIKey is IRKCMMXRSVXEPT-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c5-2-3(6)1-4(7)8;/h3,6H,1-2,5H2,(H,7,8);1H/t3-;/m0./s1.
What are the key properties of (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride?
(3S)-4-amino-3-hydroxybutanoic acid;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-3-hydroxybutanoic acid;hydrochloride is sourced from PubChem (CID 122360186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).