methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate

C14H25NO5 — CID 69336381

IUPACmethyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1OC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-11(16)14(4,5)19-10-8-7-9-15(10)12(17)18-6/h10H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyCCWXXZHWEZLQFQ-JTQLQIEISA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds3

About methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate

methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate (PubChem CID 69336381) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate
PubChem CID69336381
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namemethyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1OC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-11(16)14(4,5)19-10-8-7-9-15(10)12(17)18-6/h10H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyCCWXXZHWEZLQFQ-JTQLQIEISA-N
XLogP2.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 143133647
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
tert-butyl (2S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 11118647
tert-butyl 2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 56993490
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
methyl (2S)-1-[C-[(2-methylpropan-2-yl)oxy]carbonimidoyl]pyrrolidine-2-carboxylate
CID 177284759

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate (CID 69336381) is methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate is COC(=O)N1CCC[C@@H]1OC(C)(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate?
The InChIKey is CCWXXZHWEZLQFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)20-11(16)14(4,5)19-10-8-7-9-15(10)12(17)18-6/h10H,7-9H2,1-6H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate?
methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 69336381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).