3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid

C13H22N2O3 — CID 62414233

IUPAC3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)NC2CCC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(17)7-6-10-3-2-8-15(9-10)13(18)14-11-4-1-5-11/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyMFQMCBMHDMKZAX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.83
Rot. Bonds4

About 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid

3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid (PubChem CID 62414233) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
PubChem CID62414233
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)NC2CCC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(17)7-6-10-3-2-8-15(9-10)13(18)14-11-4-1-5-11/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyMFQMCBMHDMKZAX-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 80715207
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
CID 63294450
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708
3-[1-(1,2,4-triazin-3-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 114388651

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid (CID 62414233) is 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)NC2CCC2)C1.
What is the InChIKey of 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid?
The InChIKey is MFQMCBMHDMKZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)7-6-10-3-2-8-15(9-10)13(18)14-11-4-1-5-11/h10-11H,1-9H2,(H,14,18)(H,16,17).
What are the key properties of 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid?
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 62414233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).