3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid

C14H24N2O3 — CID 106191160

IUPAC3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESCC(C)=CCNC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-11(2)7-8-15-14(19)16-9-3-4-12(10-16)5-6-13(17)18/h7,12H,3-6,8-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOQDGFEYQOAREFY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.24
Rot. Bonds5

About 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid

3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid (PubChem CID 106191160) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
PubChem CID106191160
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESCC(C)=CCNC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-11(2)7-8-15-14(19)16-9-3-4-12(10-16)5-6-13(17)18/h7,12H,3-6,8-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOQDGFEYQOAREFY-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 63959654
N-(3-methylbut-2-enyl)azetidine-1-carboxamide
CID 130669860
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 64643622
3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
CID 63294450
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708
2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid
CID 114156215
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
3-[1-[1-(dimethylamino)propan-2-ylcarbamoyl]piperidin-3-yl]propanoic acid
CID 82938050
3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid
CID 83017879

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid (CID 106191160) is 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid is CC(C)=CCNC(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid?
The InChIKey is OQDGFEYQOAREFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)7-8-15-14(19)16-9-3-4-12(10-16)5-6-13(17)18/h7,12H,3-6,8-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid?
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 106191160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).