2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid

C15H16N2O3 — CID 18469037

IUPAC2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid
SMILESNc1ccc(CCc2ccccc2)n(CC(=O)O)c1=O
InChIInChI=1S/C15H16N2O3/c16-13-9-8-12(17(15(13)20)10-14(18)19)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,16H2,(H,18,19)
InChIKeyBDYOQRDDPITXFN-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.30
Rot. Bonds5

About 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid

2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid (PubChem CID 18469037) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid
PubChem CID18469037
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid
SMILESNc1ccc(CCc2ccccc2)n(CC(=O)O)c1=O
InChIInChI=1S/C15H16N2O3/c16-13-9-8-12(17(15(13)20)10-14(18)19)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,16H2,(H,18,19)
InChIKeyBDYOQRDDPITXFN-UHFFFAOYSA-N
XLogP1.30
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
CID 58788257
5-(2-phenylethyl)-1-prop-2-enylpyrrole-2-carboxylic acid
CID 100793430
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
1-benzyl-5-(2-phenylethyl)pyrrole-2-carbaldehyde
CID 100793435
benzene;2-phenylethylbenzene
CID 18982764
2-methyl-1,5-bis(2-phenylethyl)pyrrole
CID 102088618
1-(carboxymethyl)-5-(2-phenylethyl)triazole-4-carboxylic acid
CID 82202366
bis(3-phenylpropyl) decanedioate
CID 91710064
iodomethyl carbamate;2-phenylethylbenzene
CID 67308047
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
CID 23614321
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
2-(3-benzyl-2-iminobenzimidazol-1-yl)acetic acid
CID 780937

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid (CID 18469037) is 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid is Nc1ccc(CCc2ccccc2)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid?
The InChIKey is BDYOQRDDPITXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-13-9-8-12(17(15(13)20)10-14(18)19)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,16H2,(H,18,19).
What are the key properties of 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid?
2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-oxo-6-(2-phenylethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 18469037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).