tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate

C14H26N2O4 — CID 143133647

IUPACtert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)NC(=O)OC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)15-11(17)19-10-8-7-9-16(10)12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyPJLJDFSSLFYABC-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate

tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate (PubChem CID 143133647) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate
PubChem CID143133647
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)NC(=O)OC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)15-11(17)19-10-8-7-9-16(10)12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyPJLJDFSSLFYABC-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
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 (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate (CID 143133647) is tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate is CC(C)(C)NC(=O)OC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate?
The InChIKey is PJLJDFSSLFYABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)15-11(17)19-10-8-7-9-16(10)12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate?
tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 143133647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).