tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate

C14H26N2O3 — CID 22954193

IUPACtert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)12(17)16-8-7-11(9-16)15(6)13(18)19-14(3,4)5/h10-11H,7-9H2,1-6H3
InChIKeyVQPWXSVBHPRDSI-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate (PubChem CID 22954193) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate
PubChem CID22954193
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)12(17)16-8-7-11(9-16)15(6)13(18)19-14(3,4)5/h10-11H,7-9H2,1-6H3
InChIKeyVQPWXSVBHPRDSI-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate (CID 22954193) is tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate is CC(C)C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
The InChIKey is VQPWXSVBHPRDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)12(17)16-8-7-11(9-16)15(6)13(18)19-14(3,4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 22954193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).