2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H27N3O3 — CID 79609426

IUPAC2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN(C)CCN(C)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H27N3O3/c1-16(2)6-7-17(3)15(21)18-12-4-5-13(18)9-11(8-12)10-14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyOOEHDMCXSXAFHA-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds5

About 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79609426) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79609426
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN(C)CCN(C)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H27N3O3/c1-16(2)6-7-17(3)15(21)18-12-4-5-13(18)9-11(8-12)10-14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyOOEHDMCXSXAFHA-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610849
2-[8-[3-(dimethylamino)propylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610606
2-[8-[methyl(oxolan-3-yl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 82730726
2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 113485738
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873
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-(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-(2,3-dimethylbutylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609673

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79609426) is 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CN(C)CCN(C)C(=O)N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is OOEHDMCXSXAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(2)6-7-17(3)15(21)18-12-4-5-13(18)9-11(8-12)10-14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79609426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).