methyl 5,5-dimethylpyrrolidine-2-carboxylate

C8H15NO2 — CID 75088958

IUPACmethyl 5,5-dimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(C)(C)N1
InChIInChI=1S/C8H15NO2/c1-8(2)5-4-6(9-8)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyXICTWYXIDIEKJP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds1

About methyl 5,5-dimethylpyrrolidine-2-carboxylate

methyl 5,5-dimethylpyrrolidine-2-carboxylate (PubChem CID 75088958) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 5,5-dimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,5-dimethylpyrrolidine-2-carboxylate
PubChem CID75088958
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 5,5-dimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(C)(C)N1
InChIInChI=1S/C8H15NO2/c1-8(2)5-4-6(9-8)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyXICTWYXIDIEKJP-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (2S)-aziridine-2-carboxylate
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methyl 4,4-dimethyl-5-sulfanylidenepyrrolidine-2-carboxylate
CID 24975461
methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
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methyl 4,4-dimethylpiperidine-2-carboxylate;hydrochloride
CID 67791330
methyl 8-hydroxy-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
CID 165447867
methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate
CID 125425441
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
CID 14805634
methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476988
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980

Frequently Asked Questions

What is the IUPAC name of methyl 5,5-dimethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 5,5-dimethylpyrrolidine-2-carboxylate (CID 75088958) is methyl 5,5-dimethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 5,5-dimethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 5,5-dimethylpyrrolidine-2-carboxylate is COC(=O)C1CCC(C)(C)N1.
What is the InChIKey of methyl 5,5-dimethylpyrrolidine-2-carboxylate?
The InChIKey is XICTWYXIDIEKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)5-4-6(9-8)7(10)11-3/h6,9H,4-5H2,1-3H3.
What are the key properties of methyl 5,5-dimethylpyrrolidine-2-carboxylate?
methyl 5,5-dimethylpyrrolidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-dimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 75088958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).