2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid

C13H17NO3S — CID 43360561

IUPAC2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCc1cccs1)(C(=O)O)C1CC1
InChIInChI=1S/C13H17NO3S/c1-13(12(16)17,9-4-5-9)14-11(15)7-6-10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyLHEJQERLKQBRLR-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.05
Rot. Bonds6

About 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid

2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid (PubChem CID 43360561) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid
PubChem CID43360561
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid
SMILESCC(NC(=O)CCc1cccs1)(C(=O)O)C1CC1
InChIInChI=1S/C13H17NO3S/c1-13(12(16)17,9-4-5-9)14-11(15)7-6-10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyLHEJQERLKQBRLR-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)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 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid (CID 43360561) is 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid is CC(NC(=O)CCc1cccs1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
The InChIKey is LHEJQERLKQBRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(12(16)17,9-4-5-9)14-11(15)7-6-10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid?
2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid has a molecular weight of 267.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-thiophen-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 43360561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).