2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid

C11H11NO2S2 — CID 170879609

IUPAC2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid
SMILESNC(Cc1cc(-c2ccsc2)cs1)C(=O)O
InChIInChI=1S/C11H11NO2S2/c12-10(11(13)14)4-9-3-8(6-16-9)7-1-2-15-5-7/h1-3,5-6,10H,4,12H2,(H,13,14)
InChIKeyAZFSTQGQVKDAOO-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid

2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid (PubChem CID 170879609) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid
PubChem CID170879609
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid
SMILESNC(Cc1cc(-c2ccsc2)cs1)C(=O)O
InChIInChI=1S/C11H11NO2S2/c12-10(11(13)14)4-9-3-8(6-16-9)7-1-2-15-5-7/h1-3,5-6,10H,4,12H2,(H,13,14)
InChIKeyAZFSTQGQVKDAOO-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid (CID 170879609) is 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid is NC(Cc1cc(-c2ccsc2)cs1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid?
The InChIKey is AZFSTQGQVKDAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c12-10(11(13)14)4-9-3-8(6-16-9)7-1-2-15-5-7/h1-3,5-6,10H,4,12H2,(H,13,14).
What are the key properties of 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid?
2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid has a molecular weight of 253.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 170879609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).