ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate

C15H27NO4 — CID 68574402

IUPACditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)19-11(17)15(7)9-8-10-16(15)12(18)20-14(4,5)6/h8-10H2,1-7H3
InChIKeyFGMIJWGCAKPBIG-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.12
Rot. Bonds1

About ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate

ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate (PubChem CID 68574402) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
PubChem CID68574402
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)19-11(17)15(7)9-8-10-16(15)12(18)20-14(4,5)6/h8-10H2,1-7H3
InChIKeyFGMIJWGCAKPBIG-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
CID 27281685
tert-butyl (2S)-2-methyl-2-(3,3,3-trifluoropropanoyl)pyrrolidine-1-carboxylate
CID 177311829
tert-butyl (2R)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-2-methylpyrrolidine-1-carboxylate
CID 155007259
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
1-O-tert-butyl 2-O,6-O-dimethyl (2S,6R)-2,6-dimethylpiperidine-1,2,6-tricarboxylate
CID 15212625
1-O-tert-butyl 2-O-methyl 2-sulfanylpyrrolidine-1,2-dicarboxylate
CID 150937032

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate (CID 68574402) is ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCCC1(C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate?
The InChIKey is FGMIJWGCAKPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-13(2,3)19-11(17)15(7)9-8-10-16(15)12(18)20-14(4,5)6/h8-10H2,1-7H3.
What are the key properties of ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate?
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 68574402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).