1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

C13H12F3NO4 — CID 43341197

IUPAC1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H12F3NO4/c14-7-5-6(8(15)10(18)9(7)16)11(19)17-13(12(20)21)3-1-2-4-13/h5,18H,1-4H2,(H,17,19)(H,20,21)
InChIKeyOTHNJMJTEFNSLV-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.94
Rot. Bonds3

About 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43341197) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43341197
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H12F3NO4/c14-7-5-6(8(15)10(18)9(7)16)11(19)17-13(12(20)21)3-1-2-4-13/h5,18H,1-4H2,(H,17,19)(H,20,21)
InChIKeyOTHNJMJTEFNSLV-UHFFFAOYSA-N
XLogP1.94
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61158524
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
4-[(2-chloro-4,5-difluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291756
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43341197) is 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OTHNJMJTEFNSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c14-7-5-6(8(15)10(18)9(7)16)11(19)17-13(12(20)21)3-1-2-4-13/h5,18H,1-4H2,(H,17,19)(H,20,21).
What are the key properties of 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 303.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43341197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).