tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate

C11H21N3O3 — CID 171538458

IUPACtert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(N)C1=O
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)13-5-7-14-6-4-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)
InChIKeyIJJANLFOFOUIBL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.07
Rot. Bonds3

About tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate

tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate (PubChem CID 171538458) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
PubChem CID171538458
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(N)C1=O
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)13-5-7-14-6-4-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)
InChIKeyIJJANLFOFOUIBL-UHFFFAOYSA-N
XLogP0.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
CID 57152882
tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
CID 167260928
tert-butyl N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 72533232
tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
CID 168699074
tert-butyl N-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]carbamate
CID 117274207
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 107849724
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
CID 151865533
ditert-butyl (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]butanedioate
CID 102156239
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286
tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
CID 168655854
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate (CID 171538458) is tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCC(N)C1=O.
What is the InChIKey of tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is IJJANLFOFOUIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)13-5-7-14-6-4-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 171538458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).