4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide

C11H19N3O — CID 105365360

IUPAC4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide
SMILESNC(=O)C1(NC2CC2)CCN2CCC1C2
InChIInChI=1S/C11H19N3O/c12-10(15)11(13-9-1-2-9)4-6-14-5-3-8(11)7-14/h8-9,13H,1-7H2,(H2,12,15)
InChIKeyBCLCBHRCGXWNOH-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.31
Rot. Bonds3

About 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide

4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide (PubChem CID 105365360) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide
PubChem CID105365360
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide
SMILESNC(=O)C1(NC2CC2)CCN2CCC1C2
InChIInChI=1S/C11H19N3O/c12-10(15)11(13-9-1-2-9)4-6-14-5-3-8(11)7-14/h8-9,13H,1-7H2,(H2,12,15)
InChIKeyBCLCBHRCGXWNOH-UHFFFAOYSA-N
XLogP-0.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide
CID 130905435
4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105434470
1-(cyclohexylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxamide
CID 82853864
3-(methylamino)-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 60796247
4-(3-fluoro-5-methylanilino)-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105365521
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
ethyl 4-anilino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105365412
ethyl 4-(3-azidopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105365519
ethyl 4-(4-bromoanilino)-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105365437
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901
4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365366

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide (CID 105365360) is 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide is NC(=O)C1(NC2CC2)CCN2CCC1C2.
What is the InChIKey of 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide?
The InChIKey is BCLCBHRCGXWNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-10(15)11(13-9-1-2-9)4-6-14-5-3-8(11)7-14/h8-9,13H,1-7H2,(H2,12,15).
What are the key properties of 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide?
4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide has a molecular weight of 209.29 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide is sourced from PubChem (CID 105365360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).