tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

C14H27N3O4 — CID 22732113

IUPACtert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COCCN)C(=O)N1CCCC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)16-11(10-20-9-6-15)12(18)17-7-4-5-8-17/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyNXYCSRGBXWYDPV-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.48
Rot. Bonds6

About tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (PubChem CID 22732113) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
PubChem CID22732113
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nametert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(COCCN)C(=O)N1CCCC1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)16-11(10-20-9-6-15)12(18)17-7-4-5-8-17/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyNXYCSRGBXWYDPV-UHFFFAOYSA-N
XLogP0.48
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (CID 22732113) is tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(COCCN)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The InChIKey is NXYCSRGBXWYDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-14(2,3)21-13(19)16-11(10-20-9-6-15)12(18)17-7-4-5-8-17/h11H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate has a molecular weight of 301.39 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-aminoethoxy)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 22732113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).