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

C13H14F2N2O3 — CID 61208643

IUPAC1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cccc(F)c1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H14F2N2O3/c14-8-4-3-5-9(10(8)15)16-12(20)17-13(11(18)19)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,18,19)(H2,16,17,20)
InChIKeyLTIVRMYQQQJESW-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.48
Rot. Bonds3

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

1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61208643) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID61208643
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cccc(F)c1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H14F2N2O3/c14-8-4-3-5-9(10(8)15)16-12(20)17-13(11(18)19)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,18,19)(H2,16,17,20)
InChIKeyLTIVRMYQQQJESW-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61182116
1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[(2-iodophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61184494
1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107627199
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61202086
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
1-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854347
1-(1-carbamothioylcyclopentyl)-3-(2-fluorophenyl)urea
CID 61122214
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 61208643) is 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cccc(F)c1F)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LTIVRMYQQQJESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-8-4-3-5-9(10(8)15)16-12(20)17-13(11(18)19)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 284.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61208643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).