2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H23NO3 — CID 79615363

IUPAC2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCCC=C(C)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H23NO3/c1-3-4-10(2)15(19)16-12-5-6-13(16)8-11(7-12)9-14(17)18/h4,11-13H,3,5-9H2,1-2H3,(H,17,18)
InChIKeyJATDZGPXSSDMKY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.59
Rot. Bonds4

About 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79615363) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79615363
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCCC=C(C)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H23NO3/c1-3-4-10(2)15(19)16-12-5-6-13(16)8-11(7-12)9-14(17)18/h4,11-13H,3,5-9H2,1-2H3,(H,17,18)
InChIKeyJATDZGPXSSDMKY-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106191293
2-[8-[(E)-4-aminobut-2-enoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 112746836
2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608726
2-(8-but-3-enoyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79614997
2-[(1S,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 98126153
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609426
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-[8-(tert-butylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608579
2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608122
2-[8-(2-aminopentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609229
2-[8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106439304

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79615363) is 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CCC=C(C)C(=O)N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is JATDZGPXSSDMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-10(2)15(19)16-12-5-6-13(16)8-11(7-12)9-14(17)18/h4,11-13H,3,5-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylpent-2-enoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79615363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).