(2R)-2-acetamido-3-thiophen-2-ylpropanoic acid

C9H11NO3S — CID 10987608

IUPAC(2R)-2-acetamido-3-thiophen-2-ylpropanoic acid
SMILESCC(=O)N[C@H](Cc1cccs1)C(=O)O
InChIInChI=1S/C9H11NO3S/c1-6(11)10-8(9(12)13)5-7-3-2-4-14-7/h2-4,8H,5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1
InChIKeyFSFVGPGABHYRPJ-MRVPVSSYSA-N
MW213.26 g/mol
LogP0.88
Rot. Bonds4

About (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid

(2R)-2-acetamido-3-thiophen-2-ylpropanoic acid (PubChem CID 10987608) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-thiophen-2-ylpropanoic acid
PubChem CID10987608
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name(2R)-2-acetamido-3-thiophen-2-ylpropanoic acid
SMILESCC(=O)N[C@H](Cc1cccs1)C(=O)O
InChIInChI=1S/C9H11NO3S/c1-6(11)10-8(9(12)13)5-7-3-2-4-14-7/h2-4,8H,5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1
InChIKeyFSFVGPGABHYRPJ-MRVPVSSYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid (CID 10987608) is (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid is CC(=O)N[C@H](Cc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid?
The InChIKey is FSFVGPGABHYRPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6(11)10-8(9(12)13)5-7-3-2-4-14-7/h2-4,8H,5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid?
(2R)-2-acetamido-3-thiophen-2-ylpropanoic acid has a molecular weight of 213.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 10987608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).