2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C13H13N3O4 — CID 115288199

IUPAC2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)c2ccc(O)cc2)C(=O)O)cn1
InChIInChI=1S/C13H13N3O4/c1-16-7-9(6-14-16)11(13(19)20)15-12(18)8-2-4-10(17)5-3-8/h2-7,11,17H,1H3,(H,15,18)(H,19,20)
InChIKeyDDQPHDLZMRZLHV-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.68
Rot. Bonds4

About 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288199) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288199
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NC(=O)c2ccc(O)cc2)C(=O)O)cn1
InChIInChI=1S/C13H13N3O4/c1-16-7-9(6-14-16)11(13(19)20)15-12(18)8-2-4-10(17)5-3-8/h2-7,11,17H,1H3,(H,15,18)(H,19,20)
InChIKeyDDQPHDLZMRZLHV-UHFFFAOYSA-N
XLogP0.68
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(aminomethyl)benzoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288689
2-[(4-hydroxy-2-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107670892
2-[(3,4-dimethylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287952
2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
CID 113279490
2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287993
2-[(4-fluoro-3-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288039
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203
2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
CID 115288107
2-[(2-hydroxy-5-methylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288214
2-[(2-iodobenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287967
2-[(5-fluoropyridine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104638368
4-[[(1R)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]carbamoyl]benzoic acid
CID 129466846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288199) is 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NC(=O)c2ccc(O)cc2)C(=O)O)cn1.
What is the InChIKey of 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is DDQPHDLZMRZLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-16-7-9(6-14-16)11(13(19)20)15-12(18)8-2-4-10(17)5-3-8/h2-7,11,17H,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 275.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).