3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide

C12H21N3O2 — CID 79607251

IUPAC3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H21N3O2/c13-11(16)3-4-14-12(17)7-8-5-9-1-2-10(6-8)15-9/h8-10,15H,1-7H2,(H2,13,16)(H,14,17)
InChIKeyFEGVSTBDYLBYOT-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.10
Rot. Bonds5

About 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide (PubChem CID 79607251) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
PubChem CID79607251
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H21N3O2/c13-11(16)3-4-14-12(17)7-8-5-9-1-2-10(6-8)15-9/h8-10,15H,1-7H2,(H2,13,16)(H,14,17)
InChIKeyFEGVSTBDYLBYOT-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738495
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739227
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide
CID 106175674
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide
CID 115739281
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863867

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide?
The IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide (CID 79607251) is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide?
The canonical SMILES for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide is NC(=O)CCNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide?
The InChIKey is FEGVSTBDYLBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-11(16)3-4-14-12(17)7-8-5-9-1-2-10(6-8)15-9/h8-10,15H,1-7H2,(H2,13,16)(H,14,17).
What are the key properties of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide?
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide has a molecular weight of 239.32 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 79607251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).