3-amino-3-(4-chlorothiophen-2-yl)propanoic acid

C7H8ClNO2S — CID 15311718

IUPAC3-amino-3-(4-chlorothiophen-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1cc(Cl)cs1
InChIInChI=1S/C7H8ClNO2S/c8-4-1-6(12-3-4)5(9)2-7(10)11/h1,3,5H,2,9H2,(H,10,11)
InChIKeyUDYZFBYIZVGGDU-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid

3-amino-3-(4-chlorothiophen-2-yl)propanoic acid (PubChem CID 15311718) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-chlorothiophen-2-yl)propanoic acid
PubChem CID15311718
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name3-amino-3-(4-chlorothiophen-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1cc(Cl)cs1
InChIInChI=1S/C7H8ClNO2S/c8-4-1-6(12-3-4)5(9)2-7(10)11/h1,3,5H,2,9H2,(H,10,11)
InChIKeyUDYZFBYIZVGGDU-UHFFFAOYSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid?
The IUPAC name of 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid (CID 15311718) is 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid is NC(CC(=O)O)c1cc(Cl)cs1.
What is the InChIKey of 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid?
The InChIKey is UDYZFBYIZVGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c8-4-1-6(12-3-4)5(9)2-7(10)11/h1,3,5H,2,9H2,(H,10,11).
What are the key properties of 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid?
3-amino-3-(4-chlorothiophen-2-yl)propanoic acid has a molecular weight of 205.67 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chlorothiophen-2-yl)propanoic acid is sourced from PubChem (CID 15311718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).