1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17FN2O3 — CID 62813931

IUPAC1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC(=O)NC2(C(=O)O)CCCC2)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-9-8-10(4-5-11(9)15)16-13(20)17-14(12(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyLJWASEKGSYVSOJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.65
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 62813931) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID62813931
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(NC(=O)NC2(C(=O)O)CCCC2)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-9-8-10(4-5-11(9)15)16-13(20)17-14(12(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyLJWASEKGSYVSOJ-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 62813931) is 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is Cc1cc(NC(=O)NC2(C(=O)O)CCCC2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LJWASEKGSYVSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-8-10(4-5-11(9)15)16-13(20)17-14(12(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62813931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).