1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid

C13H15FN2O3 — CID 81162784

IUPAC1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)NC2(C(=O)O)CCC2)c1
InChIInChI=1S/C13H15FN2O3/c1-8-5-9(14)7-10(6-8)15-12(19)16-13(11(17)18)3-2-4-13/h5-7H,2-4H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySGYFQHRXNWBQEN-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.26
Rot. Bonds3

About 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid

1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81162784) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81162784
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)NC2(C(=O)O)CCC2)c1
InChIInChI=1S/C13H15FN2O3/c1-8-5-9(14)7-10(6-8)15-12(19)16-13(11(17)18)3-2-4-13/h5-7H,2-4H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySGYFQHRXNWBQEN-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
4-[(3-bromo-5-methylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 107576523
1-[(3-chloro-4-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81164066
1-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107576432
4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid
CID 79049575
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
1-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 113364175
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107627959
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
3-cyclopropyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxylic acid
CID 79044460
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid (CID 81162784) is 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid is Cc1cc(F)cc(NC(=O)NC2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is SGYFQHRXNWBQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-5-9(14)7-10(6-8)15-12(19)16-13(11(17)18)3-2-4-13/h5-7H,2-4H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid?
1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).