methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride

C8H12ClNO2S — CID 67438693

IUPACmethyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1cccs1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-11-8(10)7(9)5-6-3-2-4-12-6;/h2-4,7H,5,9H2,1H3;1H
InChIKeyJOTSVOSIVDVLQL-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride

methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride (PubChem CID 67438693) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride
PubChem CID67438693
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Namemethyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1cccs1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-11-8(10)7(9)5-6-3-2-4-12-6;/h2-4,7H,5,9H2,1H3;1H
InChIKeyJOTSVOSIVDVLQL-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride (CID 67438693) is methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride is COC(=O)C(N)Cc1cccs1.Cl.
What is the InChIKey of methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride?
The InChIKey is JOTSVOSIVDVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c1-11-8(10)7(9)5-6-3-2-4-12-6;/h2-4,7H,5,9H2,1H3;1H.
What are the key properties of methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride?
methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-thiophen-2-ylpropanoate;hydrochloride is sourced from PubChem (CID 67438693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).