(5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate

C15H27NO2 — CID 63031486

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2CCNC2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)13-5-4-11(3)8-14(13)18-15(17)12-6-7-16-9-12/h10-14,16H,4-9H2,1-3H3
InChIKeySZQKGTIFWUKYLH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.60
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate (PubChem CID 63031486) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate
PubChem CID63031486
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2CCNC2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)13-5-4-11(3)8-14(13)18-15(17)12-6-7-16-9-12/h10-14,16H,4-9H2,1-3H3
InChIKeySZQKGTIFWUKYLH-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate 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

cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate
CID 55148914
1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,4S)-cyclohex-2-ene-1,4-dicarboxylate
CID 11868434
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 102075959
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] adamantane-2-carboxylate
CID 11782134
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate (CID 63031486) is (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate is CC1CCC(C(C)C)C(OC(=O)C2CCNC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate?
The InChIKey is SZQKGTIFWUKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)13-5-4-11(3)8-14(13)18-15(17)12-6-7-16-9-12/h10-14,16H,4-9H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate is sourced from PubChem (CID 63031486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).