3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid

C13H21NO4 — CID 62217275

IUPAC3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)C1CCCO1
InChIInChI=1S/C13H21NO4/c15-12(16)7-6-10-4-1-2-8-14(10)13(17)11-5-3-9-18-11/h10-11H,1-9H2,(H,15,16)
InChIKeyIJHJDMDJVWPROQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.41
Rot. Bonds4

About 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 62217275) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID62217275
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)C1CCCO1
InChIInChI=1S/C13H21NO4/c15-12(16)7-6-10-4-1-2-8-14(10)13(17)11-5-3-9-18-11/h10-11H,1-9H2,(H,15,16)
InChIKeyIJHJDMDJVWPROQ-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 80665862
2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 104855615
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856232
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[2-(3-chloropropyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 55185740
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119261277
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid (CID 62217275) is 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)C1CCCO1.
What is the InChIKey of 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is IJHJDMDJVWPROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(16)7-6-10-4-1-2-8-14(10)13(17)11-5-3-9-18-11/h10-11H,1-9H2,(H,15,16).
What are the key properties of 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 255.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).