tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate

C12H22N2O3 — CID 66630657

IUPACtert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C(N)=O)CCC1(C)C
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-8(9(13)15)6-7-12(14,4)5/h8H,6-7H2,1-5H3,(H2,13,15)
InChIKeyMRABVSAILJWLEI-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.65
Rot. Bonds1

About tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate

tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 66630657) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID66630657
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C(N)=O)CCC1(C)C
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-8(9(13)15)6-7-12(14,4)5/h8H,6-7H2,1-5H3,(H2,13,15)
InChIKeyMRABVSAILJWLEI-UHFFFAOYSA-N
XLogP1.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214
tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl (4S,5S)-4-carbamoyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 95903192
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-6-carboxylic acid
CID 146082478
tert-butyl 2,2-dimethyl-5-(2-methyl-8-oxooctan-4-yl)pyrrolidine-1-carboxylate
CID 176970704
(2S)-5-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 118856356
tert-butyl (1S,3R)-3-amino-1-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 167370049
tert-butyl (1R,3R,4R)-3-amino-4-fluoro-1-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 167369795
tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate
CID 155245632
(2R)-5-methoxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 91241222
2-(hydroxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90318891
tert-butyl (5R)-1-fluoro-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 176638856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate (CID 66630657) is tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(C(N)=O)CCC1(C)C.
What is the InChIKey of tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is MRABVSAILJWLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-8(9(13)15)6-7-12(14,4)5/h8H,6-7H2,1-5H3,(H2,13,15).
What are the key properties of tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate?
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 66630657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).