tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate

C11H21N5O4 — CID 533649

IUPACtert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC/C(N)=N/CC(N)=O
InChIInChI=1S/C11H21N5O4/c1-11(2,3)20-10(19)16-6-9(18)15-4-7(12)14-5-8(13)17/h4-6H2,1-3H3,(H2,12,14)(H2,13,17)(H,15,18)(H,16,19)
InChIKeyFVKBKBMAKAEOKA-UHFFFAOYSA-N
MW287.32 g/mol
LogP-1.53
Rot. Bonds6

About tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 533649) has the molecular formula C11H21N5O4 and a molecular weight of 287.32 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate
PubChem CID533649
Molecular FormulaC11H21N5O4
Molecular Weight287.32 g/mol
Exact Mass287.16
IUPAC Nametert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC/C(N)=N/CC(N)=O
InChIInChI=1S/C11H21N5O4/c1-11(2,3)20-10(19)16-6-9(18)15-4-7(12)14-5-8(13)17/h4-6H2,1-3H3,(H2,12,14)(H2,13,17)(H,15,18)(H,16,19)
InChIKeyFVKBKBMAKAEOKA-UHFFFAOYSA-N
XLogP-1.53
TPSA148.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-(2-amino-2-iminoethyl)-alpha-(t-butoxycarbonylamino)-
CID 567732
tert-butyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
CID 45091956
tert-butyl N-(2-amino-2-methyliminoethyl)carbamate
CID 88939571
Boc-Gly-Gly-Gly-NHEtNH2
CID 90385977
tert-butyl N-[2-[1-(cyanoamino)ethylideneamino]ethyl]carbamate
CID 117623855
tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate
CID 123354584
tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 125473216
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
[[N-methyl-C-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]carbonimidoyl]amino] 2-(propylamino)acetate
CID 134345000
tert-butyl N-[2-[[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 140191222
Boc-Gly-Gly-Gly-Gly-NH2
CID 140974961
tert-butyl N-[(2Z)-2-amino-2-[(E)-N'-hydroxycarbamimidoyl]iminoethyl]carbamate
CID 141117590

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate (CID 533649) is tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC/C(N)=N/CC(N)=O.
What is the InChIKey of tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is FVKBKBMAKAEOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O4/c1-11(2,3)20-10(19)16-6-9(18)15-4-7(12)14-5-8(13)17/h4-6H2,1-3H3,(H2,12,14)(H2,13,17)(H,15,18)(H,16,19).
What are the key properties of tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of -1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-amino-2-(2-amino-2-oxoethyl)iminoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 533649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).