(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride

C4H10ClNO3 — CID 122360052

IUPAC(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
SMILESC[C@H](O)[C@H](N)C(=O)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-2(6)3(5)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H/t2-,3-;/m0./s1
InChIKeyOFSUFJTYFFRWFD-GVOALSEPSA-N
MW155.58 g/mol
LogP-0.80
Rot. Bonds2

About (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride

(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride (PubChem CID 122360052) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
PubChem CID122360052
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Name(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
SMILESC[C@H](O)[C@H](N)C(=O)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-2(6)3(5)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H/t2-,3-;/m0./s1
InChIKeyOFSUFJTYFFRWFD-GVOALSEPSA-N
XLogP-0.80
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
CID 87185843
CID 87185843
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
CID 174830417
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
CID 87194816

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride (CID 122360052) is (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride is C[C@H](O)[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride?
The InChIKey is OFSUFJTYFFRWFD-GVOALSEPSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c1-2(6)3(5)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H/t2-,3-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride?
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride is sourced from PubChem (CID 122360052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).