1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H13F3N2O3 — CID 61182116

IUPAC1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)c(F)c1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H13F3N2O3/c14-7-3-4-8(10(16)9(7)15)17-12(21)18-13(11(19)20)5-1-2-6-13/h3-4H,1-2,5-6H2,(H,19,20)(H2,17,18,21)
InChIKeyRRBJRWVNMUCZQJ-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.62
Rot. Bonds3

About 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61182116) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID61182116
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)c(F)c1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H13F3N2O3/c14-7-3-4-8(10(16)9(7)15)17-12(21)18-13(11(19)20)5-1-2-6-13/h3-4H,1-2,5-6H2,(H,19,20)(H2,17,18,21)
InChIKeyRRBJRWVNMUCZQJ-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61202086
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81160963
1-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854347
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
1-[[(2,3,4-trifluorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446301
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 81280606
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
1-[(2-iodophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61184494

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 61182116) is 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1ccc(F)c(F)c1F)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RRBJRWVNMUCZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-7-3-4-8(10(16)9(7)15)17-12(21)18-13(11(19)20)5-1-2-6-13/h3-4H,1-2,5-6H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 302.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61182116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).