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

C9H15NO3 — CID 12842029

IUPAC4-(2-oxopiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCCC1=O
InChIInChI=1S/C9H15NO3/c11-8-4-1-2-6-10(8)7-3-5-9(12)13/h1-7H2,(H,12,13)
InChIKeyZFABTULRPMUZDB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.86
Rot. Bonds4

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

4-(2-oxopiperidin-1-yl)butanoic acid (PubChem CID 12842029) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-(2-oxopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxopiperidin-1-yl)butanoic acid
PubChem CID12842029
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-(2-oxopiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCCC1=O
InChIInChI=1S/C9H15NO3/c11-8-4-1-2-6-10(8)7-3-5-9(12)13/h1-7H2,(H,12,13)
InChIKeyZFABTULRPMUZDB-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxoazepan-1-yl)butanamide
CID 90945049
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
5-(2-oxopiperidin-1-yl)pentanenitrile
CID 11412726
1-(6-bromohexyl)azepan-2-one
CID 71348361
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[4-[(2-oxopiperidin-1-yl)methoxy]butyl]piperidin-2-one
CID 57384624
1-undec-10-enylpiperidin-2-one
CID 23295884

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(2-oxopiperidin-1-yl)butanoic acid (CID 12842029) is 4-(2-oxopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxopiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2-oxopiperidin-1-yl)butanoic acid is O=C(O)CCCN1CCCCC1=O.
What is the InChIKey of 4-(2-oxopiperidin-1-yl)butanoic acid?
The InChIKey is ZFABTULRPMUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8-4-1-2-6-10(8)7-3-5-9(12)13/h1-7H2,(H,12,13).
What are the key properties of 4-(2-oxopiperidin-1-yl)butanoic acid?
4-(2-oxopiperidin-1-yl)butanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 12842029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).