tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate

C13H25N3O3 — CID 56801821

IUPACtert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate
SMILESCN(CCNC(=O)N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)15(4)10-7-14-11(17)16-8-5-6-9-16/h5-10H2,1-4H3,(H,14,17)
InChIKeyALHKQCFTQKYASV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.66
Rot. Bonds3

About tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate (PubChem CID 56801821) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate
PubChem CID56801821
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate
SMILESCN(CCNC(=O)N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)15(4)10-7-14-11(17)16-8-5-6-9-16/h5-10H2,1-4H3,(H,14,17)
InChIKeyALHKQCFTQKYASV-UHFFFAOYSA-N
XLogP1.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate (CID 56801821) is tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate is CN(CCNC(=O)N1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate?
The InChIKey is ALHKQCFTQKYASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)15(4)10-7-14-11(17)16-8-5-6-9-16/h5-10H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 56801821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).