3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid

C14H17NO3 — CID 107273661

IUPAC3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1N1CCCCC1=O
InChIInChI=1S/C14H17NO3/c16-13-7-3-4-10-15(13)12-6-2-1-5-11(12)8-9-14(17)18/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyKNWDUDQHISQYPW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.22
Rot. Bonds4

About 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid

3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid (PubChem CID 107273661) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
PubChem CID107273661
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1N1CCCCC1=O
InChIInChI=1S/C14H17NO3/c16-13-7-3-4-10-15(13)12-6-2-1-5-11(12)8-9-14(17)18/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyKNWDUDQHISQYPW-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[2-(3,5-dioxomorpholin-4-yl)phenyl]propanoic acid
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3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one
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4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
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oxalic acid;1-[2-[2-[3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
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CID 695303

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid (CID 107273661) is 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid is O=C(O)CCc1ccccc1N1CCCCC1=O.
What is the InChIKey of 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid?
The InChIKey is KNWDUDQHISQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-7-3-4-10-15(13)12-6-2-1-5-11(12)8-9-14(17)18/h1-2,5-6H,3-4,7-10H2,(H,17,18).
What are the key properties of 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid?
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 107273661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).