tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate

C12H22N2O4 — CID 63303097

IUPACtert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
SMILESCCOC(=O)CNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-5-17-10(15)6-13-9-7-14(8-9)11(16)18-12(2,3)4/h9,13H,5-8H2,1-4H3
InChIKeyRKDRGSHZPUVHEC-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.76
Rot. Bonds4

About tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate (PubChem CID 63303097) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
PubChem CID63303097
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
SMILESCCOC(=O)CNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-5-17-10(15)6-13-9-7-14(8-9)11(16)18-12(2,3)4/h9,13H,5-8H2,1-4H3
InChIKeyRKDRGSHZPUVHEC-UHFFFAOYSA-N
XLogP0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
CID 67392129
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
CID 146609548
tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate
CID 102672148
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl (1S,5R)-6-(2-ethoxy-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175863008
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
CID 107241913
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate (CID 63303097) is tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate is CCOC(=O)CNC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate?
The InChIKey is RKDRGSHZPUVHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-5-17-10(15)6-13-9-7-14(8-9)11(16)18-12(2,3)4/h9,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 63303097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).