tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane

C14H28N2O3 — CID 162388275

IUPACtert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCCC1.CCC
InChIInChI=1S/C11H20N2O3.C3H8/c1-11(2,3)16-10(15)12-8-9(14)13-6-4-5-7-13;1-3-2/h4-8H2,1-3H3,(H,12,15);3H2,1-2H3
InChIKeyFICWPRMHPZLXTF-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane

tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane (PubChem CID 162388275) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
PubChem CID162388275
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCCC1.CCC
InChIInChI=1S/C11H20N2O3.C3H8/c1-11(2,3)16-10(15)12-8-9(14)13-6-4-5-7-13;1-3-2/h4-8H2,1-3H3,(H,12,15);3H2,1-2H3
InChIKeyFICWPRMHPZLXTF-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
tert-butyl N-[2-[4-(2-cyanoacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543077
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798
tert-butyl N-[2-[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108916191
tert-butyl N-[2-[4-[(E)-4-methylpent-2-enoyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108916194
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
tert-butyl N-[2-[4-[(cyclopropanecarbonylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916482
tert-butyl N-[2-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108916144
tert-butyl N-[2-oxo-2-[4-[(E)-3,4,4-trimethylpent-2-enoyl]piperazin-1-yl]ethyl]carbamate
CID 108916112
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
tert-butyl N-[2-[4-[3-[[2-[3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]propylamino]-2-oxoacetyl]amino]propyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 142240393

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane?
The IUPAC name of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane (CID 162388275) is tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane.
What is the SMILES notation for tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane?
The canonical SMILES for tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane is CC(C)(C)OC(=O)NCC(=O)N1CCCC1.CCC.
What is the InChIKey of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane?
The InChIKey is FICWPRMHPZLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.C3H8/c1-11(2,3)16-10(15)12-8-9(14)13-6-4-5-7-13;1-3-2/h4-8H2,1-3H3,(H,12,15);3H2,1-2H3.
What are the key properties of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane?
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane has a molecular weight of 272.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane is sourced from PubChem (CID 162388275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).