1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate

C18H33NO2 — CID 131968762

IUPAC1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCC(CC1CCC(C)(C)C1(C)C)OC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C18H33NO2/c1-13(21-16(20)15-8-7-11-19(15)6)12-14-9-10-17(2,3)18(14,4)5/h13-15H,7-12H2,1-6H3/t13?,14?,15-/m0/s1
InChIKeyHKVYAJWTHGHVGJ-NRXISQOPSA-N
MW295.47 g/mol
LogP3.86
Rot. Bonds4

About 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate (PubChem CID 131968762) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate
PubChem CID131968762
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCC(CC1CCC(C)(C)C1(C)C)OC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C18H33NO2/c1-13(21-16(20)15-8-7-11-19(15)6)12-14-9-10-17(2,3)18(14,4)5/h13-15H,7-12H2,1-6H3/t13?,14?,15-/m0/s1
InChIKeyHKVYAJWTHGHVGJ-NRXISQOPSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Dimethylpyrrolidin-1-yl)propan-2-yl 2-cyclopentylpentanoate
CID 222184
tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
CID 59079974
methyl (2S)-1-[7-[(R)-cyclopentyl(methoxy)methoxy]-4,4-dimethyloctyl]pyrrolidine-2-carboxylate
CID 129182876
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 130441170
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-methylpyrrolidine-2-carboxylate
CID 131968654
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-formylpyrrolidine-2-carboxylate
CID 131968676
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate
CID 131968708
1-(2-Cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
CID 131968709
1-O-tert-butyl 2-O-[1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl] pyrrolidine-1,2-dicarboxylate
CID 131968713
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-methylpyrrolidine-2-carboxylate
CID 131968728
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[(2S)-2-(methylamino)propanoyl]pyrrolidine-2-carboxylate
CID 131968738
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
CID 131968750

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate (CID 131968762) is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate is CC(CC1CCC(C)(C)C1(C)C)OC(=O)[C@@H]1CCCN1C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is HKVYAJWTHGHVGJ-NRXISQOPSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13(21-16(20)15-8-7-11-19(15)6)12-14-9-10-17(2,3)18(14,4)5/h13-15H,7-12H2,1-6H3/t13?,14?,15-/m0/s1.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate?
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl (2S)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 131968762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).