methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride

C4H10ClNO3 — CID 71757488

IUPACmethyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride
SMILESCOC(=O)[C@@H](O)CN.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-8-4(7)3(6)2-5;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKeyVHMGYHFYSWICSP-DFWYDOINSA-N
MW155.58 g/mol
LogP-1.10
Rot. Bonds2

About methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride

methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride (PubChem CID 71757488) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride
PubChem CID71757488
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Namemethyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride
SMILESCOC(=O)[C@@H](O)CN.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-8-4(7)3(6)2-5;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKeyVHMGYHFYSWICSP-DFWYDOINSA-N
XLogP-1.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride?
The IUPAC name of methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride (CID 71757488) is methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride is COC(=O)[C@@H](O)CN.Cl.
What is the InChIKey of methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride?
The InChIKey is VHMGYHFYSWICSP-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(6)2-5;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1.
What are the key properties of methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride?
methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride is sourced from PubChem (CID 71757488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).