3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide

C8H14N2O2 — CID 130667305

IUPAC3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide
SMILESNC(=O)CCN1CC2CC1CO2
InChIInChI=1S/C8H14N2O2/c9-8(11)1-2-10-4-7-3-6(10)5-12-7/h6-7H,1-5H2,(H2,9,11)
InChIKeyHTDQROQVIXJWPN-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.67
Rot. Bonds3

About 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide

3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide (PubChem CID 130667305) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide
PubChem CID130667305
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide
SMILESNC(=O)CCN1CC2CC1CO2
InChIInChI=1S/C8H14N2O2/c9-8(11)1-2-10-4-7-3-6(10)5-12-7/h6-7H,1-5H2,(H2,9,11)
InChIKeyHTDQROQVIXJWPN-UHFFFAOYSA-N
XLogP-0.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide?
The IUPAC name of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide (CID 130667305) is 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide.
What is the SMILES notation for 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide?
The canonical SMILES for 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide is NC(=O)CCN1CC2CC1CO2.
What is the InChIKey of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide?
The InChIKey is HTDQROQVIXJWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-8(11)1-2-10-4-7-3-6(10)5-12-7/h6-7H,1-5H2,(H2,9,11).
What are the key properties of 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide?
3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide has a molecular weight of 170.21 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propanamide is sourced from PubChem (CID 130667305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).