methyl (2S)-2-aminopropanoate;hydrochloride

C4H10ClNO2 — CID 2733257

IUPACmethyl (2S)-2-aminopropanoate;hydrochloride
SMILESCOC(=O)[C@H](C)N.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1
InChIKeyIYUKFAFDFHZKPI-DFWYDOINSA-N
MW139.58 g/mol
LogP-0.07
Rot. Bonds1

About methyl (2S)-2-aminopropanoate;hydrochloride

methyl (2S)-2-aminopropanoate;hydrochloride (PubChem CID 2733257) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is methyl (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-aminopropanoate;hydrochloride
PubChem CID2733257
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Namemethyl (2S)-2-aminopropanoate;hydrochloride
SMILESCOC(=O)[C@H](C)N.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1
InChIKeyIYUKFAFDFHZKPI-DFWYDOINSA-N
XLogP-0.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-aminopropanoate;hydrochloride (CID 2733257) is methyl (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-aminopropanoate;hydrochloride is COC(=O)[C@H](C)N.Cl.
What is the InChIKey of methyl (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is IYUKFAFDFHZKPI-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1.
What are the key properties of methyl (2S)-2-aminopropanoate;hydrochloride?
methyl (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 139.58 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 2733257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).