4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate

C15H11N2O5- — CID 54676598

IUPAC4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1ccc([O-])cc1
InChIInChI=1S/C15H12N2O5/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(21)22/h1-8,18H,(H,16,19)(H,17,20)(H,21,22)/p-1
InChIKeyNDVVRHYEGGZEKX-UHFFFAOYSA-M
MW299.26 g/mol
LogP0.53
Rot. Bonds3

About 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate

4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate (PubChem CID 54676598) has the molecular formula C15H11N2O5- and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate.

Molecular Properties

Compound Name4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate
PubChem CID54676598
Molecular FormulaC15H11N2O5-
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1ccc([O-])cc1
InChIInChI=1S/C15H12N2O5/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(21)22/h1-8,18H,(H,16,19)(H,17,20)(H,21,22)/p-1
InChIKeyNDVVRHYEGGZEKX-UHFFFAOYSA-M
XLogP0.53
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 66717184
CID 66717184
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
N'-benzoyl-2-nitrosobenzohydrazide
CID 89185550
phosphoric acid;phthalic acid
CID 175071379
calcium bis(4-carboxyphenolate)
CID 54686127
N'-(4-phenylbenzoyl)naphthalene-1-carbohydrazide
CID 3127351

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate?
The IUPAC name of 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate (CID 54676598) is 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate.
What is the SMILES notation for 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate?
The canonical SMILES for 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate is O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc([O-])cc1.
What is the InChIKey of 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate?
The InChIKey is NDVVRHYEGGZEKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O5/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(21)22/h1-8,18H,(H,16,19)(H,17,20)(H,21,22)/p-1.
What are the key properties of 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate?
4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate has a molecular weight of 299.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-carboxybenzoyl)amino]carbamoyl]phenolate is sourced from PubChem (CID 54676598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).