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

C11H20N4O5 — CID 125473216

IUPACtert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C11H20N4O5/c1-11(2,3)20-10(19)15-6-9(18)14-5-8(17)13-4-7(12)16/h4-6H2,1-3H3,(H2,12,16)(H,13,17)(H,14,18)(H,15,19)
InChIKeySRHPXILPEVLTMR-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.77
Rot. Bonds6

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

tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 125473216) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID125473216
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Nametert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C11H20N4O5/c1-11(2,3)20-10(19)15-6-9(18)14-5-8(17)13-4-7(12)16/h4-6H2,1-3H3,(H2,12,16)(H,13,17)(H,14,18)(H,15,19)
InChIKeySRHPXILPEVLTMR-UHFFFAOYSA-N
XLogP-1.77
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 125473216) is tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is SRHPXILPEVLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-11(2,3)20-10(19)15-6-9(18)14-5-8(17)13-4-7(12)16/h4-6H2,1-3H3,(H2,12,16)(H,13,17)(H,14,18)(H,15,19).
What are the key properties of tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 288.30 g/mol, XLogP of -1.77, 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-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 125473216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).