2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C16H28N2O3 — CID 79609673

IUPAC2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(C)C(C)CNC(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C16H28N2O3/c1-10(2)11(3)9-17-16(21)18-13-4-5-14(18)7-12(6-13)8-15(19)20/h10-14H,4-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDFXOSWXWHGYCOP-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.71
Rot. Bonds5

About 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79609673) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79609673
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(C)C(C)CNC(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C16H28N2O3/c1-10(2)11(3)9-17-16(21)18-13-4-5-14(18)7-12(6-13)8-15(19)20/h10-14H,4-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDFXOSWXWHGYCOP-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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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-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608122
2-[8-(2,2,2-trifluoroethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608109
2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 113485738
2-[8-(tert-butylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608579
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-[8-[(2-methoxy-2-methylpropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 104764125
2-[8-[3-(dimethylamino)propylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610606
2-[8-(but-3-ynylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606674
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-[8-[2-(carbamoylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615220
(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129429272

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79609673) is 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CC(C)C(C)CNC(=O)N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is DFXOSWXWHGYCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10(2)11(3)9-17-16(21)18-13-4-5-14(18)7-12(6-13)8-15(19)20/h10-14H,4-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79609673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).