2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C14H22N2O3 — CID 113485738

IUPAC2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC1(NC(=O)N2C3CCC2CC(CC(=O)O)C3)CC1
InChIInChI=1S/C14H22N2O3/c1-14(4-5-14)15-13(19)16-10-2-3-11(16)7-9(6-10)8-12(17)18/h9-11H,2-8H2,1H3,(H,15,19)(H,17,18)
InChIKeySXPVTEOKZIXRHY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.97
Rot. Bonds3

About 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 113485738) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID113485738
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC1(NC(=O)N2C3CCC2CC(CC(=O)O)C3)CC1
InChIInChI=1S/C14H22N2O3/c1-14(4-5-14)15-13(19)16-10-2-3-11(16)7-9(6-10)8-12(17)18/h9-11H,2-8H2,1H3,(H,15,19)(H,17,18)
InChIKeySXPVTEOKZIXRHY-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-[8-[2-(dimethylamino)ethyl-methylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609426
2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106191293
2-[8-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610849
2-[8-(2,2,2-trifluoroethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608109
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-[3-(dimethylamino)propylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610606
2-[8-[(2-methoxy-2-methylpropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 104764125
2-[8-(but-3-ynylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606674

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 113485738) is 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CC1(NC(=O)N2C3CCC2CC(CC(=O)O)C3)CC1.
What is the InChIKey of 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is SXPVTEOKZIXRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(4-5-14)15-13(19)16-10-2-3-11(16)7-9(6-10)8-12(17)18/h9-11H,2-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(1-methylcyclopropyl)carbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 113485738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).