3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid

C15H24N2O4 — CID 80715207

IUPAC3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)NC2CC3CCC2O3)C1
InChIInChI=1S/C15H24N2O4/c18-14(19)6-3-10-2-1-7-17(9-10)15(20)16-12-8-11-4-5-13(12)21-11/h10-13H,1-9H2,(H,16,20)(H,18,19)
InChIKeyLUBBOISGLYVFBC-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.59
Rot. Bonds4

About 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid

3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid (PubChem CID 80715207) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
PubChem CID80715207
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)NC2CC3CCC2O3)C1
InChIInChI=1S/C15H24N2O4/c18-14(19)6-3-10-2-1-7-17(9-10)15(20)16-12-8-11-4-5-13(12)21-11/h10-13H,1-9H2,(H,16,20)(H,18,19)
InChIKeyLUBBOISGLYVFBC-UHFFFAOYSA-N
XLogP1.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
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
3-[1-[1-(dimethylamino)propan-2-ylcarbamoyl]piperidin-3-yl]propanoic acid
CID 82938050
4-(4-methyl-1,3-thiazol-2-yl)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,4-diazepane-1-carboxamide
CID 129378679
3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
CID 63294450
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 63959654
3-[1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 64643622

Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid (CID 80715207) is 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)NC2CC3CCC2O3)C1.
What is the InChIKey of 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
The InChIKey is LUBBOISGLYVFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-14(19)6-3-10-2-1-7-17(9-10)15(20)16-12-8-11-4-5-13(12)21-11/h10-13H,1-9H2,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid?
3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 80715207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).