2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid

C13H14FN3O4 — CID 63663402

IUPAC2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C1CCC(NC(=O)Nc2cccc(F)c2C(=O)O)CN1
InChIInChI=1S/C13H14FN3O4/c14-8-2-1-3-9(11(8)12(19)20)17-13(21)16-7-4-5-10(18)15-6-7/h1-3,7H,4-6H2,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyNGTLWOICTXVDQB-UHFFFAOYSA-N
MW295.27 g/mol
LogP0.92
Rot. Bonds3

About 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid

2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid (PubChem CID 63663402) has the molecular formula C13H14FN3O4 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
PubChem CID63663402
Molecular FormulaC13H14FN3O4
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C1CCC(NC(=O)Nc2cccc(F)c2C(=O)O)CN1
InChIInChI=1S/C13H14FN3O4/c14-8-2-1-3-9(11(8)12(19)20)17-13(21)16-7-4-5-10(18)15-6-7/h1-3,7H,4-6H2,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyNGTLWOICTXVDQB-UHFFFAOYSA-N
XLogP0.92
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63661272
2-hydroxy-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 104833710
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622
4-methyl-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663220
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
4,5-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63662851
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
1-(2-carbamothioyl-3-fluorophenyl)-3-cyclobutylurea
CID 116658288

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid (CID 63663402) is 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid is O=C1CCC(NC(=O)Nc2cccc(F)c2C(=O)O)CN1.
What is the InChIKey of 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The InChIKey is NGTLWOICTXVDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4/c14-8-2-1-3-9(11(8)12(19)20)17-13(21)16-7-4-5-10(18)15-6-7/h1-3,7H,4-6H2,(H,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid has a molecular weight of 295.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 63663402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).