(1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid

C11H17NO2 — CID 129413509

IUPAC(1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H]2C[C@@H]3CCCN2[C@@H]31
InChIInChI=1S/C11H17NO2/c13-11(14)9-4-3-8-6-7-2-1-5-12(8)10(7)9/h7-10H,1-6H2,(H,13,14)/t7-,8-,9-,10-/m0/s1
InChIKeyQPLDKCYYOORMMX-XKNYDFJKSA-N
MW195.26 g/mol
LogP1.33
Rot. Bonds1

About (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid

(1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid (PubChem CID 129413509) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid.

Molecular Properties

Compound Name(1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid
PubChem CID129413509
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H]2C[C@@H]3CCCN2[C@@H]31
InChIInChI=1S/C11H17NO2/c13-11(14)9-4-3-8-6-7-2-1-5-12(8)10(7)9/h7-10H,1-6H2,(H,13,14)/t7-,8-,9-,10-/m0/s1
InChIKeyQPLDKCYYOORMMX-XKNYDFJKSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

[(1S,3R,8R,9S)-7-azatricyclo[5.4.0.03,8]undecan-9-yl]methanol
CID 124842135
(3aS,4aR,6R,8aS)-2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole-6-carboxylic acid
CID 97036329
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96603802
2-acetyl-2-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 167722081
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455

Frequently Asked Questions

What is the IUPAC name of (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid?
The IUPAC name of (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid (CID 129413509) is (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid.
What is the SMILES notation for (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid?
The canonical SMILES for (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid is O=C(O)[C@H]1CC[C@H]2C[C@@H]3CCCN2[C@@H]31.
What is the InChIKey of (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid?
The InChIKey is QPLDKCYYOORMMX-XKNYDFJKSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(14)9-4-3-8-6-7-2-1-5-12(8)10(7)9/h7-10H,1-6H2,(H,13,14)/t7-,8-,9-,10-/m0/s1.
What are the key properties of (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid?
(1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,8S,9S)-7-azatricyclo[5.4.0.03,8]undecane-9-carboxylic acid is sourced from PubChem (CID 129413509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).