N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide

C13H21N3O2 — CID 650271

IUPACN-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide
SMILESNC(=O)CN1C2CCC1CC(NC(=O)C1CC1)C2
InChIInChI=1S/C13H21N3O2/c14-12(17)7-16-10-3-4-11(16)6-9(5-10)15-13(18)8-1-2-8/h8-11H,1-7H2,(H2,14,17)(H,15,18)
InChIKeyMMIFSIWKVQVSSH-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.01
Rot. Bonds4

About N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide

N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide (PubChem CID 650271) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide
PubChem CID650271
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide
SMILESNC(=O)CN1C2CCC1CC(NC(=O)C1CC1)C2
InChIInChI=1S/C13H21N3O2/c14-12(17)7-16-10-3-4-11(16)6-9(5-10)15-13(18)8-1-2-8/h8-11H,1-7H2,(H2,14,17)(H,15,18)
InChIKeyMMIFSIWKVQVSSH-UHFFFAOYSA-N
XLogP-0.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide (CID 650271) is N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide is NC(=O)CN1C2CCC1CC(NC(=O)C1CC1)C2.
What is the InChIKey of N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
The InChIKey is MMIFSIWKVQVSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-12(17)7-16-10-3-4-11(16)6-9(5-10)15-13(18)8-1-2-8/h8-11H,1-7H2,(H2,14,17)(H,15,18).
What are the key properties of N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide?
N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 650271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).