benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

C15H20N2O4 — CID 90202541

IUPACbenzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCCOC(=O)CC1(N)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-2-20-13(18)8-15(16)10-17(11-15)14(19)21-9-12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3
InChIKeyUENYJDZNYMLSTD-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.29
Rot. Bonds5

About benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate (PubChem CID 90202541) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
PubChem CID90202541
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namebenzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
SMILESCCOC(=O)CC1(N)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-2-20-13(18)8-15(16)10-17(11-15)14(19)21-9-12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3
InChIKeyUENYJDZNYMLSTD-UHFFFAOYSA-N
XLogP1.29
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
CID 70136146
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
1-O-benzyl 3-O-ethyl (3S)-3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate
CID 155818759
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
benzyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 155295084
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
The IUPAC name of benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate (CID 90202541) is benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
The canonical SMILES for benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate is CCOC(=O)CC1(N)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
The InChIKey is UENYJDZNYMLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-20-13(18)8-15(16)10-17(11-15)14(19)21-9-12-6-4-3-5-7-12/h3-7H,2,8-11,16H2,1H3.
What are the key properties of benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate?
benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate is sourced from PubChem (CID 90202541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).