ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate

C10H13NO3 — CID 66650045

IUPACethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](C)n1ccccc1=O
InChIInChI=1S/C10H13NO3/c1-3-14-10(13)8(2)11-7-5-4-6-9(11)12/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyZFNYKFPTYJBSLZ-QMMMGPOBSA-N
MW195.22 g/mol
LogP0.97
Rot. Bonds3

About ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate

ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate (PubChem CID 66650045) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate
PubChem CID66650045
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](C)n1ccccc1=O
InChIInChI=1S/C10H13NO3/c1-3-14-10(13)8(2)11-7-5-4-6-9(11)12/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyZFNYKFPTYJBSLZ-QMMMGPOBSA-N
XLogP0.97
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1-pyridinyl)pentanoic acid
CID 82032055
1-(2-oxo-1-pyridinyl)ethyl acetate
CID 174565058
1-pentan-3-ylpyridin-2-one
CID 90220799
ethyl 2-(1,3-dihydroisoindol-2-yl)propanoate
CID 62206095
prop-2-enyl 2-[2-ethoxy-2-oxo-1-(2-oxo-1-pyridinyl)ethyl]-1H-pyrrole-3-carboxylate
CID 57069104
2-[1-(1-ethoxy-1-oxopropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 54960692
1-[ethoxy(trimethylsilyl)methyl]pyridin-2-one
CID 66619672
ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
boric acid;ethyl 2-[5-(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-2-oxo-1-pyridinyl]propanoate
CID 175367214
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate?
The IUPAC name of ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate (CID 66650045) is ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate is CCOC(=O)[C@H](C)n1ccccc1=O.
What is the InChIKey of ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate?
The InChIKey is ZFNYKFPTYJBSLZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-14-10(13)8(2)11-7-5-4-6-9(11)12/h4-8H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate?
ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate has a molecular weight of 195.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 66650045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).