azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid

C92H111N19O19 — CID 160622833

About azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid

azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid (PubChem CID 160622833) has the molecular formula C92H111N19O19 and a molecular weight of 1787.01 g/mol. Its IUPAC name is azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid.

Molecular Properties

• Compound Name: azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid
• PubChem CID: 160622833
• Molecular Formula: C92H111N19O19
• Molecular Weight: 1787.01 g/mol
• Exact Mass: 1785.83
• IUPAC Name: azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid
• SMILES: CC(=O)COC(=O)C1CN(C(=O)OCc2ccccc2)C1.Cc1coc(C2CN(C(=O)OCc3ccccc3)C2)n1.Cc1coc(C2CN(c3c4c(nc5ccnn35)CCN(C(=O)OC(C)(C)C)CC4)C2)n1.Cc1coc(C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)n1.Cc1coc(C2CNC2)n1.O=C(O)C1CN(C(=O)OCc2ccccc2)C1.O=C(O)C1CNC1
• InChI: InChI=1S/C22H28N6O3.C17H20N6O.C15H16N2O3.C15H17NO5.C12H13NO4.C7H10N2O.C4H7NO2/c1-14-13-30-19(24-14)15-11-27(12-15)20-16-6-9-26(21(29)31-22(2,3)4)10-7-17(16)25-18-5-8-23-28(18)20;1-11-10-24-16(20-11)12-8-22(9-12)17-13-2-5-18-6-3-14(13)21-15-4-7-19-23(15)17;1-11-9-19-14(16-11)13-7-17(8-13)15(18)20-10-12-5-3-2-4-6-12;1-11(17)9-20-14(18)13-7-16(8-13)15(19)21-10-12-5-3-2-4-6-12;14-11(15)10-6-13(7-10)12(16)17-8-9-4-2-1-3-5-9;1-5-4-10-7(9-5)6-2-8-3-6;6-4(7)3-1-5-2-3/h5,8,13,15H,6-7,9-12H2,1-4H3;4,7,10,12,18H,2-3,5-6,8-9H2,1H3;2-6,9,13H,7-8,10H2,1H3;2-6,13H,7-10H2,1H3;1-5,10H,6-8H2,(H,14,15);4,6,8H,2-3H2,1H3;3,5H,1-2H2,(H,6,7)
• InChIKey: RGXRHQXDNDFGRI-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 443.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1787.01
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid?

The IUPAC name of azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid (CID 160622833) is azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid.

What is the SMILES notation for azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid?

The canonical SMILES for azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid is CC(=O)COC(=O)C1CN(C(=O)OCc2ccccc2)C1.Cc1coc(C2CN(C(=O)OCc3ccccc3)C2)n1.Cc1coc(C2CN(c3c4c(nc5ccnn35)CCN(C(=O)OC(C)(C)C)CC4)C2)n1.Cc1coc(C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)n1.Cc1coc(C2CNC2)n1.O=C(O)C1CN(C(=O)OCc2ccccc2)C1.O=C(O)C1CNC1.

What is the InChIKey of azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid?

The InChIKey is RGXRHQXDNDFGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3.C17H20N6O.C15H16N2O3.C15H17NO5.C12H13NO4.C7H10N2O.C4H7NO2/c1-14-13-30-19(24-14)15-11-27(12-15)20-16-6-9-26(21(29)31-22(2,3)4)10-7-17(16)25-18-5-8-23-28(18)20;1-11-10-24-16(20-11)12-8-22(9-12)17-13-2-5-18-6-3-14(13)21-15-4-7-19-23(15)17;1-11-9-19-14(16-11)13-7-17(8-13)15(18)20-10-12-5-3-2-4-6-12;1-11(17)9-20-14(18)13-7-16(8-13)15(19)21-10-12-5-3-2-4-6-12;14-11(15)10-6-13(7-10)12(16)17-8-9-4-2-1-3-5-9;1-5-4-10-7(9-5)6-2-8-3-6;6-4(7)3-1-5-2-3/h5,8,13,15H,6-7,9-12H2,1-4H3;4,7,10,12,18H,2-3,5-6,8-9H2,1H3;2-6,9,13H,7-8,10H2,1H3;2-6,13H,7-10H2,1H3;1-5,10H,6-8H2,(H,14,15);4,6,8H,2-3H2,1H3;3,5H,1-2H2,(H,6,7).

What are the key properties of azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid?

azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid has a molecular weight of 1787.01 g/mol, XLogP of 9.69, 17 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine-3-carboxylic acid;2-(azetidin-3-yl)-4-methyl-1,3-oxazole;benzyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate;1-O-benzyl 3-O-(2-oxopropyl) azetidine-1,3-dicarboxylate;tert-butyl 8-[3-(4-methyl-1,3-oxazol-2-yl)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene-12-carboxylate;4-methyl-2-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]-1,3-oxazole;1-phenylmethoxycarbonylazetidine-3-carboxylic acid is sourced from PubChem (CID 160622833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).