2-(4-oxopiperidin-1-yl)propanoic acid

C8H13NO3 — CID 20984998

IUPAC2-(4-oxopiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(=O)CC1
InChIInChI=1S/C8H13NO3/c1-6(8(11)12)9-4-2-7(10)3-5-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyILDSZCXRMCRKPK-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.12
Rot. Bonds2

About 2-(4-oxopiperidin-1-yl)propanoic acid

2-(4-oxopiperidin-1-yl)propanoic acid (PubChem CID 20984998) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)propanoic acid
PubChem CID20984998
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(4-oxopiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(=O)CC1
InChIInChI=1S/C8H13NO3/c1-6(8(11)12)9-4-2-7(10)3-5-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyILDSZCXRMCRKPK-UHFFFAOYSA-N
XLogP0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-1-yl)propanoic acid hydrochloride
CID 12455410
2-Piperidin-1-yl-propionic acid
CID 3152951
2-(3-Hydroxypiperidin-1-yl)propanoic acid
CID 60702626
methyl (2R)-2-(4-oxopiperidin-1-yl)propanoate
CID 130119466
2-(4-Oxopiperidin-1-yl)acetic acid
CID 6496939
2-Oxopropylpiperidine-2-carboxylic acid
CID 59945877
2-Methyl-2-(piperidin-1-yl)propanoic acid
CID 19965467
2-(4-Fluoropiperidin-1-yl)propanoic acid
CID 115014445
2-(3-Fluoropiperidin-1-yl)propanoic acid
CID 115014448
2-(4,4-Difluoropiperidin-1-yl)propanoic acid
CID 115019303
2-(3,3-Difluoropiperidin-1-yl)propanoic acid
CID 115019304
(2S)-2-(4-fluoropiperidin-1-yl)propanoic acid
CID 129462975

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(4-oxopiperidin-1-yl)propanoic acid (CID 20984998) is 2-(4-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC(=O)CC1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)propanoic acid?
The InChIKey is ILDSZCXRMCRKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(8(11)12)9-4-2-7(10)3-5-9/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(4-oxopiperidin-1-yl)propanoic acid?
2-(4-oxopiperidin-1-yl)propanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 20984998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).