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

C13H15N3O5 — CID 104833669

IUPAC2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)NC1CCCNC1=O
InChIInChI=1S/C13H15N3O5/c17-10-7(12(19)20)3-1-4-8(10)15-13(21)16-9-5-2-6-14-11(9)18/h1,3-4,9,17H,2,5-6H2,(H,14,18)(H,19,20)(H2,15,16,21)
InChIKeyUJRZIQOCINKKHP-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.49
Rot. Bonds3

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

2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid (PubChem CID 104833669) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
PubChem CID104833669
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)NC1CCCNC1=O
InChIInChI=1S/C13H15N3O5/c17-10-7(12(19)20)3-1-4-8(10)15-13(21)16-9-5-2-6-14-11(9)18/h1,3-4,9,17H,2,5-6H2,(H,14,18)(H,19,20)(H2,15,16,21)
InChIKeyUJRZIQOCINKKHP-UHFFFAOYSA-N
XLogP0.49
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 81498086
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
2-hydroxy-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 104833710
3-fluoro-4-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63188170
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
1-(2-methoxy-3-pyridinyl)-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 94796982
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
2-nitro-3-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 115542394
1-(2-methoxy-3-pyridinyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030553
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid (CID 104833669) is 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid is O=C(Nc1cccc(C(=O)O)c1O)NC1CCCNC1=O.
What is the InChIKey of 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
The InChIKey is UJRZIQOCINKKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-10-7(12(19)20)3-1-4-8(10)15-13(21)16-9-5-2-6-14-11(9)18/h1,3-4,9,17H,2,5-6H2,(H,14,18)(H,19,20)(H2,15,16,21).
What are the key properties of 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid?
2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid has a molecular weight of 293.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 104833669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).