2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

C16H22N2O3 — CID 104547660

IUPAC2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21,12-7-8-12)18-14(19)13-6-4-3-5-11(13)9-10-17-2/h3-6,12,17H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWBLLKPBHRYPXBU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.43
Rot. Bonds7

About 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (PubChem CID 104547660) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
PubChem CID104547660
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21,12-7-8-12)18-14(19)13-6-4-3-5-11(13)9-10-17-2/h3-6,12,17H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWBLLKPBHRYPXBU-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]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 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (CID 104547660) is 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is CNCCc1ccccc1C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The InChIKey is WBLLKPBHRYPXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(15(20)21,12-7-8-12)18-14(19)13-6-4-3-5-11(13)9-10-17-2/h3-6,12,17H,7-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 104547660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).