(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C11H17NO2 — CID 98112257

IUPAC(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CC[C@@H](C1)N2C1CC1
InChIInChI=1S/C11H17NO2/c13-11(14)7-5-9-3-4-10(6-7)12(9)8-1-2-8/h7-10H,1-6H2,(H,13,14)/t9-,10-/m0/s1
InChIKeyFWZFCDRZCCCMPJ-UWVGGRQHSA-N
MW195.26 g/mol
LogP1.48
Rot. Bonds2

About (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 98112257) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID98112257
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CC[C@@H](C1)N2C1CC1
InChIInChI=1S/C11H17NO2/c13-11(14)7-5-9-3-4-10(6-7)12(9)8-1-2-8/h7-10H,1-6H2,(H,13,14)/t9-,10-/m0/s1
InChIKeyFWZFCDRZCCCMPJ-UWVGGRQHSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 98112266
(1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164101
8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 22958903
(5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 127053664
8-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 20524123
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
4,4-dioxo-4λ6-thiatricyclo[5.3.0.02,6]decane-9-carboxylic acid
CID 102567562
azanium cis-(3R,5S)-3,5-dicarboxycyclohexane-1-carboxylate
CID 139145721

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 98112257) is (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)C1C[C@@H]2CC[C@@H](C1)N2C1CC1.
What is the InChIKey of (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is FWZFCDRZCCCMPJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(14)7-5-9-3-4-10(6-7)12(9)8-1-2-8/h7-10H,1-6H2,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 98112257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).