2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H24N2O3 — CID 106191293

IUPAC2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(C)=CCNC(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H24N2O3/c1-10(2)5-6-16-15(20)17-12-3-4-13(17)8-11(7-12)9-14(18)19/h5,11-13H,3-4,6-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWIRPOBZWCPZVPC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.38
Rot. Bonds4

About 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 106191293) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID106191293
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(C)=CCNC(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H24N2O3/c1-10(2)5-6-16-15(20)17-12-3-4-13(17)8-11(7-12)9-14(18)19/h5,11-13H,3-4,6-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWIRPOBZWCPZVPC-UHFFFAOYSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 106191293) is 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CC(C)=CCNC(=O)N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is WIRPOBZWCPZVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)5-6-16-15(20)17-12-3-4-13(17)8-11(7-12)9-14(18)19/h5,11-13H,3-4,6-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 106191293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).