2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate

C15H27NO2 — CID 154544211

IUPAC2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)[C@H]1NCC[C@@H]1C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-11(2)10-18-15(17)14-13(8-9-16-14)12-6-4-3-5-7-12/h11-14,16H,3-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyBZAUWCTXJQNWTK-KGLIPLIRSA-N
MW253.39 g/mol
LogP2.74
Rot. Bonds4

About 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate

2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate (PubChem CID 154544211) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate
PubChem CID154544211
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)[C@H]1NCC[C@@H]1C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-11(2)10-18-15(17)14-13(8-9-16-14)12-6-4-3-5-7-12/h11-14,16H,3-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyBZAUWCTXJQNWTK-KGLIPLIRSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
CID 141395914
3-cycloheptylpyrrolidine-2-carboxylic acid
CID 79337893
2-methylpropyl cyclopropanecarboxylate
CID 549520
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652
3-cyclopentyl-2-(2-methylpropyl)pyrrolidine
CID 62763094
2-methylpentyl 3-methylpyrrolidine-2-carboxylate
CID 103284116
tetrakis(2-methylpropyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 23444116
bis(2-methylpropyl) 2-(1-cyclohexylethyl)propanedioate
CID 118088624
bis(2-methylpropyl) 2-(2-cyclohexylethyl)propanedioate
CID 118088621
[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
CID 79338390
ethyl (3aS,4R,6aR)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carboxylate
CID 170446159
2-O-tert-butyl 1-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
CID 66983745

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate?
The IUPAC name of 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate (CID 154544211) is 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate?
The canonical SMILES for 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate is CC(C)COC(=O)[C@H]1NCC[C@@H]1C1CCCCC1.
What is the InChIKey of 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate?
The InChIKey is BZAUWCTXJQNWTK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)10-18-15(17)14-13(8-9-16-14)12-6-4-3-5-7-12/h11-14,16H,3-10H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate?
2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate is sourced from PubChem (CID 154544211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).