tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid

C15H30N2O9 — CID 117064315

IUPACtert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCN.O=C(O)C(=O)O
InChIInChI=1S/C13H28N2O5.C2H2O4/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14;3-1(4)2(5)6/h4-11,14H2,1-3H3,(H,15,16);(H,3,4)(H,5,6)
InChIKeyUBYRPWWNEFYMPD-UHFFFAOYSA-N
MW382.41 g/mol
LogP-0.32
Rot. Bonds11

About tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid

tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid (PubChem CID 117064315) has the molecular formula C15H30N2O9 and a molecular weight of 382.41 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid
PubChem CID117064315
Molecular FormulaC15H30N2O9
Molecular Weight382.41 g/mol
Exact Mass382.20
IUPAC Nametert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCN.O=C(O)C(=O)O
InChIInChI=1S/C13H28N2O5.C2H2O4/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14;3-1(4)2(5)6/h4-11,14H2,1-3H3,(H,15,16);(H,3,4)(H,5,6)
InChIKeyUBYRPWWNEFYMPD-UHFFFAOYSA-N
XLogP-0.32
TPSA166.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid?
The IUPAC name of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid (CID 117064315) is tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid?
The canonical SMILES for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid is CC(C)(C)OC(=O)NCCOCCOCCOCCN.O=C(O)C(=O)O.
What is the InChIKey of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid?
The InChIKey is UBYRPWWNEFYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O5.C2H2O4/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14;3-1(4)2(5)6/h4-11,14H2,1-3H3,(H,15,16);(H,3,4)(H,5,6).
What are the key properties of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid?
tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid has a molecular weight of 382.41 g/mol, XLogP of -0.32, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;oxalic acid is sourced from PubChem (CID 117064315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).