methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride

C8H10Cl3NO2S — CID 68973812

IUPACmethyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C8H9Cl2NO2S.ClH/c1-13-8(12)5(11)2-4-3-6(9)14-7(4)10;/h3,5H,2,11H2,1H3;1H
InChIKeyJOCRQCSBGWXYMK-UHFFFAOYSA-N
MW290.60 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride

methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride (PubChem CID 68973812) has the molecular formula C8H10Cl3NO2S and a molecular weight of 290.60 g/mol. Its IUPAC name is methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
PubChem CID68973812
Molecular FormulaC8H10Cl3NO2S
Molecular Weight290.60 g/mol
Exact Mass288.95
IUPAC Namemethyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C8H9Cl2NO2S.ClH/c1-13-8(12)5(11)2-4-3-6(9)14-7(4)10;/h3,5H,2,11H2,1H3;1H
InChIKeyJOCRQCSBGWXYMK-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.60
LogP ≤ 52.52
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-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride (CID 68973812) is methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride is COC(=O)C(N)Cc1cc(Cl)sc1Cl.Cl.
What is the InChIKey of methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
The InChIKey is JOCRQCSBGWXYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S.ClH/c1-13-8(12)5(11)2-4-3-6(9)14-7(4)10;/h3,5H,2,11H2,1H3;1H.
What are the key properties of methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride?
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride has a molecular weight of 290.60 g/mol, XLogP of 2.52, 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-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 68973812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).