N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide

C11H18N2O2 — CID 167964595

IUPACN-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(NC1CC1)C1(O)CN2CCC1CC2
InChIInChI=1S/C11H18N2O2/c14-10(12-9-1-2-9)11(15)7-13-5-3-8(11)4-6-13/h8-9,15H,1-7H2,(H,12,14)
InChIKeyFVIOFDQSSFTYHP-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.28
Rot. Bonds2

About N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide

N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 167964595) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID167964595
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(NC1CC1)C1(O)CN2CCC1CC2
InChIInChI=1S/C11H18N2O2/c14-10(12-9-1-2-9)11(15)7-13-5-3-8(11)4-6-13/h8-9,15H,1-7H2,(H,12,14)
InChIKeyFVIOFDQSSFTYHP-UHFFFAOYSA-N
XLogP-0.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 20568205
1-[[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonyl]amino]-3-methylthiourea
CID 6934477
2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide
CID 11194977
2,3-dihydroxybutanedioic acid;(3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-ol
CID 87932085
(3R)-3-(chloromethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 42554392
(3S)-3-(chloromethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 42554394
(3S)-3-(sulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15643566
S-[[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]methyl] ethanethioate
CID 97305558
S-[[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]methyl] ethanethioate
CID 97305557
3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 43803215
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanoic acid
CID 62399053

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide (CID 167964595) is N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide is O=C(NC1CC1)C1(O)CN2CCC1CC2.
What is the InChIKey of N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is FVIOFDQSSFTYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10(12-9-1-2-9)11(15)7-13-5-3-8(11)4-6-13/h8-9,15H,1-7H2,(H,12,14).
What are the key properties of N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide?
N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 167964595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).