3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid

C10H14N2O3S — CID 61198287

IUPAC3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1ccsc1)C(=O)NCCC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-12(6-8-3-5-16-7-8)10(15)11-4-2-9(13)14/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyWVRDSEUXQLYRRQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.36
Rot. Bonds5

About 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid

3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 61198287) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID61198287
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1ccsc1)C(=O)NCCC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-12(6-8-3-5-16-7-8)10(15)11-4-2-9(13)14/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyWVRDSEUXQLYRRQ-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]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 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid (CID 61198287) is 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid is CN(Cc1ccsc1)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is WVRDSEUXQLYRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12(6-8-3-5-16-7-8)10(15)11-4-2-9(13)14/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid?
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61198287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).