2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate

C13H24N2O3 — CID 70320103

IUPAC2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)COC(=O)NCC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)8-18-12(17)14-7-11(16)15-6-5-13(3,4)9-15/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyFFUCNGQVCPIFGC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.63
Rot. Bonds4

About 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate

2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate (PubChem CID 70320103) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
PubChem CID70320103
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)COC(=O)NCC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)8-18-12(17)14-7-11(16)15-6-5-13(3,4)9-15/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyFFUCNGQVCPIFGC-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate (CID 70320103) is 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate is CC(C)COC(=O)NCC(=O)N1CCC(C)(C)C1.
What is the InChIKey of 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is FFUCNGQVCPIFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)8-18-12(17)14-7-11(16)15-6-5-13(3,4)9-15/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 70320103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).