tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen

C11H25NO4 — CID 172596059

IUPACtert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
SMILESCO.COC1CCN(C(=O)OC(C)(C)C)C1.[H][H]
InChIInChI=1S/C10H19NO3.CH4O.H2/c1-10(2,3)14-9(12)11-6-5-8(7-11)13-4;1-2;/h8H,5-7H2,1-4H3;2H,1H3;1H
InChIKeyJXGKPZWZBMMITM-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.50
Rot. Bonds1

About tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen

tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen (PubChem CID 172596059) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
PubChem CID172596059
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Nametert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
SMILESCO.COC1CCN(C(=O)OC(C)(C)C)C1.[H][H]
InChIInChI=1S/C10H19NO3.CH4O.H2/c1-10(2,3)14-9(12)11-6-5-8(7-11)13-4;1-2;/h8H,5-7H2,1-4H3;2H,1H3;1H
InChIKeyJXGKPZWZBMMITM-UHFFFAOYSA-N
XLogP1.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
CID 70427418
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
(2S,7S)-7-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazocane-2-carboxylic acid
CID 171841312
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen?
The IUPAC name of tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen (CID 172596059) is tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen.
What is the SMILES notation for tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen?
The canonical SMILES for tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen is CO.COC1CCN(C(=O)OC(C)(C)C)C1.[H][H].
What is the InChIKey of tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen?
The InChIKey is JXGKPZWZBMMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.CH4O.H2/c1-10(2,3)14-9(12)11-6-5-8(7-11)13-4;1-2;/h8H,5-7H2,1-4H3;2H,1H3;1H.
What are the key properties of tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen?
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen has a molecular weight of 235.32 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen is sourced from PubChem (CID 172596059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).