2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid

C14H15Cl3N2O3 — CID 122083148

IUPAC2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H15Cl3N2O3/c1-7(14(21)22)19(9-2-3-9)6-12(20)18-13-10(16)4-8(15)5-11(13)17/h4-5,7,9H,2-3,6H2,1H3,(H,18,20)(H,21,22)
InChIKeyCQMNORHPOXSMPM-UHFFFAOYSA-N
MW365.64 g/mol
LogP3.52
Rot. Bonds6

About 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid

2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid (PubChem CID 122083148) has the molecular formula C14H15Cl3N2O3 and a molecular weight of 365.64 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid
PubChem CID122083148
Molecular FormulaC14H15Cl3N2O3
Molecular Weight365.64 g/mol
Exact Mass364.01
IUPAC Name2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H15Cl3N2O3/c1-7(14(21)22)19(9-2-3-9)6-12(20)18-13-10(16)4-8(15)5-11(13)17/h4-5,7,9H,2-3,6H2,1H3,(H,18,20)(H,21,22)
InChIKeyCQMNORHPOXSMPM-UHFFFAOYSA-N
XLogP3.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]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-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid (CID 122083148) is 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid is CC(C(=O)O)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid?
The InChIKey is CQMNORHPOXSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O3/c1-7(14(21)22)19(9-2-3-9)6-12(20)18-13-10(16)4-8(15)5-11(13)17/h4-5,7,9H,2-3,6H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid?
2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid has a molecular weight of 365.64 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid is sourced from PubChem (CID 122083148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).