tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate

C14H25NO3 — CID 15309799

IUPACtert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-13(2,3)11(16)10-8-7-9-15(10)12(17)18-14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyATXQTVOVNDFKNY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.00
Rot. Bonds1

About tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate (PubChem CID 15309799) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
PubChem CID15309799
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-13(2,3)11(16)10-8-7-9-15(10)12(17)18-14(4,5)6/h10H,7-9H2,1-6H3
InChIKeyATXQTVOVNDFKNY-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
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-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 165389383
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394
tert-butyl 2-carbonocyanidoylpyrrolidine-1-carboxylate
CID 130156507
(2S)-1-[(2R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124604992

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate (CID 15309799) is tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)C(C)(C)C.
What is the InChIKey of tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate?
The InChIKey is ATXQTVOVNDFKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)11(16)10-8-7-9-15(10)12(17)18-14(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15309799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).