tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol

C11H23NO4 — CID 66592390

IUPACtert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
SMILESCO.CO[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3.CH4O/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4;1-2/h8H,5-7H2,1-4H3;2H,1H3/t8-;/m1./s1
InChIKeyWXPOTLILUBKAEK-DDWIOCJRSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds1

About tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol

tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol (PubChem CID 66592390) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol.

Molecular Properties

Compound Nametert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
PubChem CID66592390
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
SMILESCO.CO[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3.CH4O/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4;1-2/h8H,5-7H2,1-4H3;2H,1H3/t8-;/m1./s1
InChIKeyWXPOTLILUBKAEK-DDWIOCJRSA-N
XLogP1.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
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tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
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CID 142306510
tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate
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tert-butyl 2-butoxypyrrolidine-1-carboxylate
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1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
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tert-butyl 2-ethoxyazocane-1-carboxylate
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[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
CID 46856373
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol?
The IUPAC name of tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol (CID 66592390) is tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol.
What is the SMILES notation for tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol?
The canonical SMILES for tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol is CO.CO[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol?
The InChIKey is WXPOTLILUBKAEK-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H19NO3.CH4O/c1-10(2,3)14-9(12)11-7-5-6-8(11)13-4;1-2/h8H,5-7H2,1-4H3;2H,1H3/t8-;/m1./s1.
What are the key properties of tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol?
tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol has a molecular weight of 233.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol is sourced from PubChem (CID 66592390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).