3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid

C15H14N2O4 — CID 63851328

IUPAC3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1cncc(O)c1
InChIInChI=1S/C15H14N2O4/c18-12-6-11(7-16-8-12)14(19)17-9-13(15(20)21)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)(H,20,21)
InChIKeyYHECJPDRJTZHRJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.39
Rot. Bonds5

About 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid

3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 63851328) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID63851328
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1cncc(O)c1
InChIInChI=1S/C15H14N2O4/c18-12-6-11(7-16-8-12)14(19)17-9-13(15(20)21)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)(H,20,21)
InChIKeyYHECJPDRJTZHRJ-UHFFFAOYSA-N
XLogP1.39
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
CID 107833018
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883
5-hydroxy-N-(3-methoxy-2-methylpropyl)pyridine-3-carboxamide
CID 63858922

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid (CID 63851328) is 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1cncc(O)c1.
What is the InChIKey of 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is YHECJPDRJTZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-12-6-11(7-16-8-12)14(19)17-9-13(15(20)21)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)(H,20,21).
What are the key properties of 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 63851328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).