2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid

C15H13NO4 — CID 91387791

IUPAC2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid
SMILESO=C(O)C(=O)Cc1cc(OCc2ccccc2)ccn1
InChIInChI=1S/C15H13NO4/c17-14(15(18)19)9-12-8-13(6-7-16-12)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyIJORFQBPYJHHSC-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.86
Rot. Bonds6

About 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid

2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid (PubChem CID 91387791) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid
PubChem CID91387791
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid
SMILESO=C(O)C(=O)Cc1cc(OCc2ccccc2)ccn1
InChIInChI=1S/C15H13NO4/c17-14(15(18)19)9-12-8-13(6-7-16-12)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyIJORFQBPYJHHSC-UHFFFAOYSA-N
XLogP1.86
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-phenylmethoxypyridine
CID 130153338
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
(4-phenylmethoxy-2-pyridinyl) carbamate
CID 175517268
[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate
CID 67866400
(E)-3-amino-2-(4-phenylmethoxy-2-pyridinyl)but-2-enoic acid
CID 170603679
[4-(4-phenylmethoxyphenoxy)-2-pyridinyl]methanamine
CID 69017208
2-oxo-3-(3-phenylmethoxy-2-pyridinyl)propanoic acid
CID 90838108
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-pyridinyl]pyridine
CID 102467208
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid?
The IUPAC name of 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid (CID 91387791) is 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid is O=C(O)C(=O)Cc1cc(OCc2ccccc2)ccn1.
What is the InChIKey of 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid?
The InChIKey is IJORFQBPYJHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(15(18)19)9-12-8-13(6-7-16-12)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid?
2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid has a molecular weight of 271.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(4-phenylmethoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 91387791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).