tert-butyl pyrrolidine-1-carboxylate;ethane;methanol

C12H27NO3 — CID 142181784

IUPACtert-butyl pyrrolidine-1-carboxylate;ethane;methanol
SMILESCC.CC(C)(C)OC(=O)N1CCCC1.CO
InChIInChI=1S/C9H17NO2.C2H6.CH4O/c1-9(2,3)12-8(11)10-6-4-5-7-10;2*1-2/h4-7H2,1-3H3;1-2H3;2H,1H3
InChIKeyXLHLEUGCISCUKS-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.65
Rot. Bonds

About tert-butyl pyrrolidine-1-carboxylate;ethane;methanol

tert-butyl pyrrolidine-1-carboxylate;ethane;methanol (PubChem CID 142181784) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is tert-butyl pyrrolidine-1-carboxylate;ethane;methanol.

Molecular Properties

Compound Nametert-butyl pyrrolidine-1-carboxylate;ethane;methanol
PubChem CID142181784
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Nametert-butyl pyrrolidine-1-carboxylate;ethane;methanol
SMILESCC.CC(C)(C)OC(=O)N1CCCC1.CO
InChIInChI=1S/C9H17NO2.C2H6.CH4O/c1-9(2,3)12-8(11)10-6-4-5-7-10;2*1-2/h4-7H2,1-3H3;1-2H3;2H,1H3
InChIKeyXLHLEUGCISCUKS-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl pyrrolidine-1-carboxylate;2H-triazole
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tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
tert-butyl 4-alumanyl-1,4-diazepane-1-carboxylate
CID 154554278
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
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CID 65286456
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Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolidine-1-carboxylate;ethane;methanol?
The IUPAC name of tert-butyl pyrrolidine-1-carboxylate;ethane;methanol (CID 142181784) is tert-butyl pyrrolidine-1-carboxylate;ethane;methanol.
What is the SMILES notation for tert-butyl pyrrolidine-1-carboxylate;ethane;methanol?
The canonical SMILES for tert-butyl pyrrolidine-1-carboxylate;ethane;methanol is CC.CC(C)(C)OC(=O)N1CCCC1.CO.
What is the InChIKey of tert-butyl pyrrolidine-1-carboxylate;ethane;methanol?
The InChIKey is XLHLEUGCISCUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6.CH4O/c1-9(2,3)12-8(11)10-6-4-5-7-10;2*1-2/h4-7H2,1-3H3;1-2H3;2H,1H3.
What are the key properties of tert-butyl pyrrolidine-1-carboxylate;ethane;methanol?
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol has a molecular weight of 233.35 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolidine-1-carboxylate;ethane;methanol is sourced from PubChem (CID 142181784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).