(3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate

C15H27NO3 — CID 90273652

IUPAC(3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate
SMILESCC(C)(C)C(=O)COC(=O)C1CCCN1C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-14(2,3)12(17)10-19-13(18)11-8-7-9-16(11)15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyFCLBPHQTRLZOSG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.41
Rot. Bonds3

About (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate

(3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate (PubChem CID 90273652) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate
PubChem CID90273652
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate
SMILESCC(C)(C)C(=O)COC(=O)C1CCCN1C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-14(2,3)12(17)10-19-13(18)11-8-7-9-16(11)15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyFCLBPHQTRLZOSG-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butylpyrrolidine-2-carbonyl fluoride
CID 87646722
(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 89401756
(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 58492314
1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide
CID 58877794
[(2S)-1-tert-butylpyrrolidin-2-yl]methyl propanoate
CID 59028635
1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione
CID 170653035
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
pentadecyl 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 91721436
[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176781648
tetradecyl 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 91721468
1-O-tert-butyl 2-O-[2-(cyclohexylamino)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908648

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate (CID 90273652) is (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate is CC(C)(C)C(=O)COC(=O)C1CCCN1C(C)(C)C.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate?
The InChIKey is FCLBPHQTRLZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)12(17)10-19-13(18)11-8-7-9-16(11)15(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate?
(3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate is sourced from PubChem (CID 90273652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).