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

C13H15N3O4 — CID 63661272

IUPAC2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C1CCC(NC(=O)Nc2ccccc2C(=O)O)CN1
InChIInChI=1S/C13H15N3O4/c17-11-6-5-8(7-14-11)15-13(20)16-10-4-2-1-3-9(10)12(18)19/h1-4,8H,5-7H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyKJKFGDVQGSNCOM-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.78
Rot. Bonds3

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

2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid (PubChem CID 63661272) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
PubChem CID63661272
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C1CCC(NC(=O)Nc2ccccc2C(=O)O)CN1
InChIInChI=1S/C13H15N3O4/c17-11-6-5-8(7-14-11)15-13(20)16-10-4-2-1-3-9(10)12(18)19/h1-4,8H,5-7H2,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyKJKFGDVQGSNCOM-UHFFFAOYSA-N
XLogP0.78
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 104833710
2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663402
4-methyl-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663220
2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoic acid
CID 61182882
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765684
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
CID 83034494
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid (CID 63661272) is 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid is O=C1CCC(NC(=O)Nc2ccccc2C(=O)O)CN1.
What is the InChIKey of 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The InChIKey is KJKFGDVQGSNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-11-6-5-8(7-14-11)15-13(20)16-10-4-2-1-3-9(10)12(18)19/h1-4,8H,5-7H2,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 63661272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).