(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid

C13H12N2O3S — CID 100651621

IUPAC(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccc(-c2cccnc2)s1)C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8(13(17)18)15-12(16)11-5-4-10(19-11)9-3-2-6-14-7-9/h2-8H,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyHAJWEHPJAGRBBD-MRVPVSSYSA-N
MW276.32 g/mol
LogP2.01
Rot. Bonds4

About (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid

(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 100651621) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID100651621
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccc(-c2cccnc2)s1)C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8(13(17)18)15-12(16)11-5-4-10(19-11)9-3-2-6-14-7-9/h2-8H,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyHAJWEHPJAGRBBD-MRVPVSSYSA-N
XLogP2.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic 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-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid (CID 100651621) is (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1ccc(-c2cccnc2)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is HAJWEHPJAGRBBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8(13(17)18)15-12(16)11-5-4-10(19-11)9-3-2-6-14-7-9/h2-8H,1H3,(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid?
(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 276.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 100651621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).