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

C15H24N2O3 — CID 79608122

IUPAC2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(NC(=O)N1C2CCC1CC(CC(=O)O)C2)C1CC1
InChIInChI=1S/C15H24N2O3/c1-9(11-2-3-11)16-15(20)17-12-4-5-13(17)7-10(6-12)8-14(18)19/h9-13H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyOOMLGLCPRXUFKP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds4

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

2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79608122) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79608122
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCC(NC(=O)N1C2CCC1CC(CC(=O)O)C2)C1CC1
InChIInChI=1S/C15H24N2O3/c1-9(11-2-3-11)16-15(20)17-12-4-5-13(17)7-10(6-12)8-14(18)19/h9-13H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyOOMLGLCPRXUFKP-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79608122) is 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CC(NC(=O)N1C2CCC1CC(CC(=O)O)C2)C1CC1.
What is the InChIKey of 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is OOMLGLCPRXUFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(11-2-3-11)16-15(20)17-12-4-5-13(17)7-10(6-12)8-14(18)19/h9-13H,2-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1-cyclopropylethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79608122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).