4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride

C7H8ClNO4S — CID 71651235

IUPAC4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride
SMILESCOC(=O)c1scc(N)c1C(=O)O.Cl
InChIInChI=1S/C7H7NO4S.ClH/c1-12-7(11)5-4(6(9)10)3(8)2-13-5;/h2H,8H2,1H3,(H,9,10);1H
InChIKeyRKWAXHZJTCIPHC-UHFFFAOYSA-N
MW237.66 g/mol
LogP1.24
Rot. Bonds2

About 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride

4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride (PubChem CID 71651235) has the molecular formula C7H8ClNO4S and a molecular weight of 237.66 g/mol. Its IUPAC name is 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride
PubChem CID71651235
Molecular FormulaC7H8ClNO4S
Molecular Weight237.66 g/mol
Exact Mass236.99
IUPAC Name4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride
SMILESCOC(=O)c1scc(N)c1C(=O)O.Cl
InChIInChI=1S/C7H7NO4S.ClH/c1-12-7(11)5-4(6(9)10)3(8)2-13-5;/h2H,8H2,1H3,(H,9,10);1H
InChIKeyRKWAXHZJTCIPHC-UHFFFAOYSA-N
XLogP1.24
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride (CID 71651235) is 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride is COC(=O)c1scc(N)c1C(=O)O.Cl.
What is the InChIKey of 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride?
The InChIKey is RKWAXHZJTCIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S.ClH/c1-12-7(11)5-4(6(9)10)3(8)2-13-5;/h2H,8H2,1H3,(H,9,10);1H.
What are the key properties of 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride?
4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride has a molecular weight of 237.66 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxycarbonylthiophene-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 71651235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).