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

C13H23N5O6 — CID 140974961

IUPACtert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C13H23N5O6/c1-13(2,3)24-12(23)18-7-11(22)17-6-10(21)16-5-9(20)15-4-8(14)19/h4-7H2,1-3H3,(H2,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23)
InChIKeyMWIKETYUYCRPFO-UHFFFAOYSA-N
MW345.36 g/mol
LogP-2.65
Rot. Bonds8

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

tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 140974961) has the molecular formula C13H23N5O6 and a molecular weight of 345.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID140974961
Molecular FormulaC13H23N5O6
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Nametert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C13H23N5O6/c1-13(2,3)24-12(23)18-7-11(22)17-6-10(21)16-5-9(20)15-4-8(14)19/h4-7H2,1-3H3,(H2,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23)
InChIKeyMWIKETYUYCRPFO-UHFFFAOYSA-N
XLogP-2.65
TPSA168.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-2.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 140974961) is tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is MWIKETYUYCRPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O6/c1-13(2,3)24-12(23)18-7-11(22)17-6-10(21)16-5-9(20)15-4-8(14)19/h4-7H2,1-3H3,(H2,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23).
What are the key properties of tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 345.36 g/mol, XLogP of -2.65, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 140974961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).