3-(2-oxopiperidin-1-yl)propanoic acid

C8H13NO3 — CID 19900425

IUPAC3-(2-oxopiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCCC1=O
InChIInChI=1S/C8H13NO3/c10-7-3-1-2-5-9(7)6-4-8(11)12/h1-6H2,(H,11,12)
InChIKeyCZDCTKRGYQLASW-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds3

About 3-(2-oxopiperidin-1-yl)propanoic acid

3-(2-oxopiperidin-1-yl)propanoic acid (PubChem CID 19900425) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(2-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxopiperidin-1-yl)propanoic acid
PubChem CID19900425
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-(2-oxopiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCCC1=O
InChIInChI=1S/C8H13NO3/c10-7-3-1-2-5-9(7)6-4-8(11)12/h1-6H2,(H,11,12)
InChIKeyCZDCTKRGYQLASW-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-oxopiperidin-1-yl)propanoic acid (CID 19900425) is 3-(2-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-oxopiperidin-1-yl)propanoic acid is O=C(O)CCN1CCCCC1=O.
What is the InChIKey of 3-(2-oxopiperidin-1-yl)propanoic acid?
The InChIKey is CZDCTKRGYQLASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7-3-1-2-5-9(7)6-4-8(11)12/h1-6H2,(H,11,12).
What are the key properties of 3-(2-oxopiperidin-1-yl)propanoic acid?
3-(2-oxopiperidin-1-yl)propanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 19900425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).