tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate

C14H25NO3 — CID 102097889

IUPACtert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C1CCOCC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15-8-4-5-12(15)11-6-9-17-10-7-11/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyOSKHUUWPVQJVER-GFCCVEGCSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds1

About tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate (PubChem CID 102097889) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate
PubChem CID102097889
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C1CCOCC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15-8-4-5-12(15)11-6-9-17-10-7-11/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyOSKHUUWPVQJVER-GFCCVEGCSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 50986388
tert-Butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 53487657
tert-butyl (2R)-2-butyl-5-ethoxypyrrolidine-1-carboxylate
CID 10468437
tert-butyl (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine-1-carboxylate
CID 178087177
tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate
CID 11119597
tert-butyl (2S)-2-(oxan-4-yl)pyrrolidine-1-carboxylate
CID 131226802
Tert-butyl 7-methyl-8-oxa-1-azaspiro[4.5]decane-1-carboxylate
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tert-butyl (5R)-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 138977960
tert-butyl (2S)-2-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrrolidine-1-carboxylate
CID 162413842
4-(Cyclohexylmethyl)-2,2-dimethyl-3-oxazolidinecarboxylic acid, 1,1-dimethylethyl ester
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CID 21654838

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate (CID 102097889) is tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCOCC1.
What is the InChIKey of tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is OSKHUUWPVQJVER-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15-8-4-5-12(15)11-6-9-17-10-7-11/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(oxan-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).