benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate

C14H18N2O4 — CID 69328945

IUPACbenzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate
SMILESCNC(=O)C1C(OC)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-15-13(17)12-11(19-2)8-16(12)14(18)20-9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,15,17)
InChIKeyAKINBPHHPQRDBH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.77
Rot. Bonds4

About benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate

benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate (PubChem CID 69328945) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate
PubChem CID69328945
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namebenzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate
SMILESCNC(=O)C1C(OC)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-15-13(17)12-11(19-2)8-16(12)14(18)20-9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,15,17)
InChIKeyAKINBPHHPQRDBH-UHFFFAOYSA-N
XLogP0.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
CID 168975628
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 18404291
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
2-O-benzyl 3-O-methyl (3S,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 135317961
benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 118193066
3-O-benzyl 2-O-methyl (1S,2S,5R,6S)-6-phenyl-3-azabicyclo[3.2.0]heptane-2,3-dicarboxylate
CID 15513249
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
benzyl (2S,3S,4R)-2-(cyanomethyl)-4-methoxy-3-methylpyrrolidine-1-carboxylate
CID 140741847
2-O-benzyl 3-O-methyl (3R,3aR,5R,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 135318818
2-O-benzyl 3-O-methyl (3S,3aR,5R,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 141191790
benzyl (3aS,6aR)-4-(methylcarbamoyl)-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
CID 10805435
benzyl (1S,4R,5R)-4-methoxy-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
CID 146167674

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate?
The IUPAC name of benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate (CID 69328945) is benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate is CNC(=O)C1C(OC)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate?
The InChIKey is AKINBPHHPQRDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-13(17)12-11(19-2)8-16(12)14(18)20-9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,15,17).
What are the key properties of benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate?
benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 69328945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).