2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid

C15H14N2O4 — CID 60830275

IUPAC2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccncc1)c1ccc(O)cc1
InChIInChI=1S/C15H14N2O4/c18-13-3-1-12(2-4-13)17(10-15(20)21)14(19)9-11-5-7-16-8-6-11/h1-8,18H,9-10H2,(H,20,21)
InChIKeyCKMKGXUQLXKCRX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid

2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid (PubChem CID 60830275) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
PubChem CID60830275
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccncc1)c1ccc(O)cc1
InChIInChI=1S/C15H14N2O4/c18-13-3-1-12(2-4-13)17(10-15(20)21)14(19)9-11-5-7-16-8-6-11/h1-8,18H,9-10H2,(H,20,21)
InChIKeyCKMKGXUQLXKCRX-UHFFFAOYSA-N
XLogP1.45
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
CID 60831290
2-(4-hydroxy-N-(2-thiophen-3-ylacetyl)anilino)acetic acid
CID 60831129
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
CID 62590216
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(4-hydroxy-N-[2-(triazol-1-yl)acetyl]anilino)acetic acid
CID 115348095
2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 60826593
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid (CID 60830275) is 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid is O=C(O)CN(C(=O)Cc1ccncc1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid?
The InChIKey is CKMKGXUQLXKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-3-1-12(2-4-13)17(10-15(20)21)14(19)9-11-5-7-16-8-6-11/h1-8,18H,9-10H2,(H,20,21).
What are the key properties of 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid?
2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid is sourced from PubChem (CID 60830275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).