2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C13H16N2O4 — CID 79615573

IUPAC2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)c1ccon1
InChIInChI=1S/C13H16N2O4/c16-12(17)7-8-5-9-1-2-10(6-8)15(9)13(18)11-3-4-19-14-11/h3-4,8-10H,1-2,5-7H2,(H,16,17)
InChIKeySJSWCXNWHLJAPU-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.53
Rot. Bonds3

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

2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79615573) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79615573
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)c1ccon1
InChIInChI=1S/C13H16N2O4/c16-12(17)7-8-5-9-1-2-10(6-8)15(9)13(18)11-3-4-19-14-11/h3-4,8-10H,1-2,5-7H2,(H,16,17)
InChIKeySJSWCXNWHLJAPU-UHFFFAOYSA-N
XLogP1.53
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79615573) is 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2C(=O)c1ccon1.
What is the InChIKey of 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is SJSWCXNWHLJAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)7-8-5-9-1-2-10(6-8)15(9)13(18)11-3-4-19-14-11/h3-4,8-10H,1-2,5-7H2,(H,16,17).
What are the key properties of 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79615573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).