ethyl (2S)-2-aminopropanoate;hydrochloride

C5H12ClNO2 — CID 2724356

IUPACethyl (2S)-2-aminopropanoate;hydrochloride
SMILESCCOC(=O)[C@H](C)N.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyJCXLZWMDXJFOOI-WCCKRBBISA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds2

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

ethyl (2S)-2-aminopropanoate;hydrochloride (PubChem CID 2724356) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is ethyl (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-aminopropanoate;hydrochloride
PubChem CID2724356
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Nameethyl (2S)-2-aminopropanoate;hydrochloride
SMILESCCOC(=O)[C@H](C)N.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyJCXLZWMDXJFOOI-WCCKRBBISA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of ethyl (2S)-2-aminopropanoate;hydrochloride (CID 2724356) is ethyl (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-aminopropanoate;hydrochloride is CCOC(=O)[C@H](C)N.Cl.
What is the InChIKey of ethyl (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is JCXLZWMDXJFOOI-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1.
What are the key properties of ethyl (2S)-2-aminopropanoate;hydrochloride?
ethyl (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 2724356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).