1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine

C127H157IN12O33 — CID 161136902

About 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine

1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine (PubChem CID 161136902) has the molecular formula C127H157IN12O33 and a molecular weight of 2506.61 g/mol. Its IUPAC name is 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine.

Molecular Properties

• Compound Name: 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine
• PubChem CID: 161136902
• Molecular Formula: C127H157IN12O33
• Molecular Weight: 2506.61 g/mol
• Exact Mass: 2505.00
• IUPAC Name: 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine
• SMILES: CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC1CC2(CCC2)C1.CC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)O.CCI.CCOC(=O)c1c(OCc2ccccc2)c(=O)ccn1NC(=O)OC(C)(C)C.CCOC(=O)c1occc(=O)c1OCc1ccccc1.CO.NC1CC2(CCC2)C1.Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC1CC2(CCC2)C1.O=C(O)c1occc(=O)c1OCc1ccccc1
• InChI: InChI=1S/C25H31N3O5.C20H23N3O3.C20H24N2O6.C18H20N2O6.C15H14O5.C13H10O5.C7H13N.C6H13NO2.C2H5I.CH4O/c1-24(2,3)33-23(31)27-28-13-10-19(29)21(32-16-17-8-5-4-6-9-17)20(28)22(30)26-18-14-25(15-18)11-7-12-25;21-23-10-7-16(24)18(26-13-14-5-2-1-3-6-14)17(23)19(25)22-15-11-20(12-15)8-4-9-20;1-5-26-18(24)16-17(27-13-14-9-7-6-8-10-14)15(23)11-12-22(16)21-19(25)28-20(2,3)4;1-18(2,3)26-17(24)19-20-10-9-13(21)15(14(20)16(22)23)25-11-12-7-5-4-6-8-12;1-2-18-15(17)14-13(12(16)8-9-19-14)20-10-11-6-4-3-5-7-11;14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9;8-6-4-7(5-6)2-1-3-7;1-6(2,3)9-5(8)4-7;1-2-3;1-2/h4-6,8-10,13,18H,7,11-12,14-16H2,1-3H3,(H,26,30)(H,27,31);1-3,5-7,10,15H,4,8-9,11-13,21H2,(H,22,25);6-12H,5,13H2,1-4H3,(H,21,25);4-10H,11H2,1-3H3,(H,19,24)(H,22,23);3-9H,2,10H2,1H3;1-7H,8H2,(H,15,16);6H,1-5,8H2;4,7H2,1-3H3;2H2,1H3;2H,1H3
• InChIKey: UMXMNJDAPCZHTN-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 628.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.61
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine?

The IUPAC name of 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine (CID 161136902) is 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine.

What is the SMILES notation for 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine?

The canonical SMILES for 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine is CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC1CC2(CCC2)C1.CC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)O.CCI.CCOC(=O)c1c(OCc2ccccc2)c(=O)ccn1NC(=O)OC(C)(C)C.CCOC(=O)c1occc(=O)c1OCc1ccccc1.CO.NC1CC2(CCC2)C1.Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC1CC2(CCC2)C1.O=C(O)c1occc(=O)c1OCc1ccccc1.

What is the InChIKey of 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine?

The InChIKey is UMXMNJDAPCZHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5.C20H23N3O3.C20H24N2O6.C18H20N2O6.C15H14O5.C13H10O5.C7H13N.C6H13NO2.C2H5I.CH4O/c1-24(2,3)33-23(31)27-28-13-10-19(29)21(32-16-17-8-5-4-6-9-17)20(28)22(30)26-18-14-25(15-18)11-7-12-25;21-23-10-7-16(24)18(26-13-14-5-2-1-3-6-14)17(23)19(25)22-15-11-20(12-15)8-4-9-20;1-5-26-18(24)16-17(27-13-14-9-7-6-8-10-14)15(23)11-12-22(16)21-19(25)28-20(2,3)4;1-18(2,3)26-17(24)19-20-10-9-13(21)15(14(20)16(22)23)25-11-12-7-5-4-6-8-12;1-2-18-15(17)14-13(12(16)8-9-19-14)20-10-11-6-4-3-5-7-11;14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9;8-6-4-7(5-6)2-1-3-7;1-6(2,3)9-5(8)4-7;1-2-3;1-2/h4-6,8-10,13,18H,7,11-12,14-16H2,1-3H3,(H,26,30)(H,27,31);1-3,5-7,10,15H,4,8-9,11-13,21H2,(H,22,25);6-12H,5,13H2,1-4H3,(H,21,25);4-10H,11H2,1-3H3,(H,19,24)(H,22,23);3-9H,2,10H2,1H3;1-7H,8H2,(H,15,16);6H,1-5,8H2;4,7H2,1-3H3;2H2,1H3;2H,1H3.

What are the key properties of 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine?

1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine has a molecular weight of 2506.61 g/mol, XLogP of 18.79, 32 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-4-oxo-3-phenylmethoxy-N-spiro[3.3]heptan-2-ylpyridine-2-carboxamide;tert-butyl 2-aminoacetate;tert-butyl N-[4-oxo-3-phenylmethoxy-2-(spiro[3.3]heptan-2-ylcarbamoyl)-1-pyridinyl]carbamate;ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate;ethyl 4-oxo-3-phenylmethoxypyran-2-carboxylate;iodoethane;methanol;1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;spiro[3.3]heptan-2-amine is sourced from PubChem (CID 161136902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).