3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid

C15H25NO4 — CID 62217111

IUPAC3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CCC1CCCO1
InChIInChI=1S/C15H25NO4/c17-14(8-7-13-5-3-11-20-13)16-10-2-1-4-12(16)6-9-15(18)19/h12-13H,1-11H2,(H,18,19)
InChIKeyWMQVSPREUBTDHY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.19
Rot. Bonds6

About 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid

3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid (PubChem CID 62217111) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
PubChem CID62217111
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CCC1CCCO1
InChIInChI=1S/C15H25NO4/c17-14(8-7-13-5-3-11-20-13)16-10-2-1-4-12(16)6-9-15(18)19/h12-13H,1-11H2,(H,18,19)
InChIKeyWMQVSPREUBTDHY-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
1-[2-(2-chloroethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159753
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951763
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159910
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119649777
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136843
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95316152
1-[2-[2-(methylamino)ethyl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160147
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65160190

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid (CID 62217111) is 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)CCC1CCCO1.
What is the InChIKey of 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is WMQVSPREUBTDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-14(8-7-13-5-3-11-20-13)16-10-2-1-4-12(16)6-9-15(18)19/h12-13H,1-11H2,(H,18,19).
What are the key properties of 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid?
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).