tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate

C9H18N2O4 — CID 103658687

IUPACtert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCC(N)=O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-4-5-14-6-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyFFXDOWLRUNSOKI-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.01
Rot. Bonds5

About tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate

tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate (PubChem CID 103658687) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
PubChem CID103658687
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nametert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCC(N)=O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-4-5-14-6-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyFFXDOWLRUNSOKI-UHFFFAOYSA-N
XLogP0.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
CID 163823990
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
2-oxoethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
CID 171573311
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate (CID 103658687) is tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate is CC(C)(C)OC(=O)NCCOCC(N)=O.
What is the InChIKey of tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate?
The InChIKey is FFXDOWLRUNSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-4-5-14-6-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate?
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate has a molecular weight of 218.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate is sourced from PubChem (CID 103658687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).