2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid

C13H14N4O4 — CID 61203767

IUPAC2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid
SMILESCn1ccc(NC(=O)N(CC(=O)O)c2ccc(O)cc2)n1
InChIInChI=1S/C13H14N4O4/c1-16-7-6-11(15-16)14-13(21)17(8-12(19)20)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3,(H,19,20)(H,14,15,21)
InChIKeyCRGNEWDNRMMTEY-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.25
Rot. Bonds4

About 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid

2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid (PubChem CID 61203767) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid
PubChem CID61203767
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid
SMILESCn1ccc(NC(=O)N(CC(=O)O)c2ccc(O)cc2)n1
InChIInChI=1S/C13H14N4O4/c1-16-7-6-11(15-16)14-13(21)17(8-12(19)20)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3,(H,19,20)(H,14,15,21)
InChIKeyCRGNEWDNRMMTEY-UHFFFAOYSA-N
XLogP1.25
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116535
2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid
CID 107438074
2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
CID 61203959
2-[4-hydroxy-N-(1,2,4-triazin-3-ylcarbamoyl)anilino]acetic acid
CID 114388681
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid
CID 61198137
4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61205269
2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60832479
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
CID 66126888
2-[4-hydroxy-N-(2-methylsulfonylethylcarbamoyl)anilino]acetic acid
CID 61204848

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid (CID 61203767) is 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid is Cn1ccc(NC(=O)N(CC(=O)O)c2ccc(O)cc2)n1.
What is the InChIKey of 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid?
The InChIKey is CRGNEWDNRMMTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-16-7-6-11(15-16)14-13(21)17(8-12(19)20)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3,(H,19,20)(H,14,15,21).
What are the key properties of 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid?
2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 61203767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).