tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate

C16H32N2O5 — CID 166714935

IUPACtert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate
SMILESCCOCC1(COCCOCCN)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O5/c1-5-20-12-16(13-22-9-8-21-7-6-17)10-18(11-16)14(19)23-15(2,3)4/h5-13,17H2,1-4H3
InChIKeyQLSKNZUHPYBFRC-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.25
Rot. Bonds10

About tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate

tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate (PubChem CID 166714935) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate
PubChem CID166714935
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Nametert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate
SMILESCCOCC1(COCCOCCN)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O5/c1-5-20-12-16(13-22-9-8-21-7-6-17)10-18(11-16)14(19)23-15(2,3)4/h5-13,17H2,1-4H3
InChIKeyQLSKNZUHPYBFRC-UHFFFAOYSA-N
XLogP1.25
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
CID 135393346
tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
CID 150244500
3-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 165495259
tert-butyl 3-(aminomethyl)-3-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 178200596
tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate
CID 83207371
tert-butyl (3R)-3-(ethoxymethyl)-3-formylpyrrolidine-1-carboxylate
CID 140909090
tert-butyl (3S)-3-(ethoxymethyl)-3-formylpyrrolidine-1-carboxylate
CID 135329993
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
3-(3-fluoropropoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 136562165
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl (3S)-3-(ethoxymethyl)-3-[(N-methylanilino)methyl]pyrrolidine-1-carboxylate
CID 135323316

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate (CID 166714935) is tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate is CCOCC1(COCCOCCN)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate?
The InChIKey is QLSKNZUHPYBFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5/c1-5-20-12-16(13-22-9-8-21-7-6-17)10-18(11-16)14(19)23-15(2,3)4/h5-13,17H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate?
tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 1.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2-aminoethoxy)ethoxymethyl]-3-(ethoxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 166714935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).