(2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid

C10H17NO2 — CID 132585174

IUPAC(2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid
SMILESC[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)O)N1
InChIInChI=1S/C10H17NO2/c1-7-6-8-4-2-3-5-10(8,11-7)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)/t7-,8-,10-/m1/s1
InChIKeyUPBIXYUVXBLIAK-NQMVMOMDSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds1

About (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid

(2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid (PubChem CID 132585174) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid.

Molecular Properties

Compound Name(2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid
PubChem CID132585174
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid
SMILESC[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)O)N1
InChIInChI=1S/C10H17NO2/c1-7-6-8-4-2-3-5-10(8,11-7)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)/t7-,8-,10-/m1/s1
InChIKeyUPBIXYUVXBLIAK-NQMVMOMDSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid with MolForge

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Related Compounds

3-cyclodecyldiazecane-3-carboxylic acid
CID 150459490
2-cyclohexyl-4-methylpiperidine-2-carboxylic acid
CID 22406303
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372
1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 19981685
3-cyclopentyl-2-methyloxolane-3-carboxylic acid
CID 114533867
(1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride
CID 56927460
(3aS,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid
CID 130764332
1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid
CID 80611832
2-methylcyclohexane-1,1-dicarbonyl chloride
CID 87557674
1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
CID 79428277
spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
CID 141032802
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid?
The IUPAC name of (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid (CID 132585174) is (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid.
What is the SMILES notation for (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid?
The canonical SMILES for (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid is C[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)O)N1.
What is the InChIKey of (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid?
The InChIKey is UPBIXYUVXBLIAK-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-6-8-4-2-3-5-10(8,11-7)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)/t7-,8-,10-/m1/s1.
What are the key properties of (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid?
(2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-2-methyl-1,2,3,3a,4,5,6,7-octahydroindole-7a-carboxylic acid is sourced from PubChem (CID 132585174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).