(2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride

C4H10ClNO3 — CID 56777177

IUPAC(2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride
SMILESCN[C@@H](CO)C(=O)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-5-3(2-6)4(7)8;/h3,5-6H,2H2,1H3,(H,7,8);1H/t3-;/m0./s1
InChIKeyZLTMGTWVKIIMRC-DFWYDOINSA-N
MW155.58 g/mol
LogP-0.93
Rot. Bonds3

About (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride

(2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride (PubChem CID 56777177) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride
PubChem CID56777177
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Name(2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride
SMILESCN[C@@H](CO)C(=O)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-5-3(2-6)4(7)8;/h3,5-6H,2H2,1H3,(H,7,8);1H/t3-;/m0./s1
InChIKeyZLTMGTWVKIIMRC-DFWYDOINSA-N
XLogP-0.93
TPSA69.56 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 ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride?
The IUPAC name of (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride (CID 56777177) is (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride is CN[C@@H](CO)C(=O)O.Cl.
What is the InChIKey of (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride?
The InChIKey is ZLTMGTWVKIIMRC-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c1-5-3(2-6)4(7)8;/h3,5-6H,2H2,1H3,(H,7,8);1H/t3-;/m0./s1.
What are the key properties of (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride?
(2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(methylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 56777177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).