tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine

C59H93N11O13 — CID 157474133

About tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine

tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine (PubChem CID 157474133) has the molecular formula C59H93N11O13 and a molecular weight of 1164.46 g/mol. Its IUPAC name is tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine.

Molecular Properties

• Compound Name: tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine
• PubChem CID: 157474133
• Molecular Formula: C59H93N11O13
• Molecular Weight: 1164.46 g/mol
• Exact Mass: 1163.70
• IUPAC Name: tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine
• SMILES: CC(=O)c1ccncc1Cc1cn(C2CCOCC2)nc1C.CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)NNC1CCOCC1.Cc1nn(C2CCOCC2)cc1Cc1cnccc1C(=O)O.NNC1CCOCC1.O=C1CCOCC1
• InChI: InChI=1S/C17H21N3O2.C16H19N3O3.C10H20N2O3.C6H13NO2.C5H12N2O.C5H8O2/c1-12-15(9-14-10-18-6-3-17(14)13(2)21)11-20(19-12)16-4-7-22-8-5-16;1-11-13(8-12-9-17-5-2-15(12)16(20)21)10-19(18-11)14-3-6-22-7-4-14;1-10(2,3)15-9(13)12-11-8-4-6-14-7-5-8;1-6(2,3)9-5(8)4-7;6-7-5-1-3-8-4-2-5;6-5-1-3-7-4-2-5/h3,6,10-11,16H,4-5,7-9H2,1-2H3;2,5,9-10,14H,3-4,6-8H2,1H3,(H,20,21);8,11H,4-7H2,1-3H3,(H,12,13);4,7H2,1-3H3;5,7H,1-4,6H2;1-4H2
• InChIKey: BVJQUOOZWVKYGC-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 319.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1164.46
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine?

The IUPAC name of tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine (CID 157474133) is tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine.

What is the SMILES notation for tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine?

The canonical SMILES for tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine is CC(=O)c1ccncc1Cc1cn(C2CCOCC2)nc1C.CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)NNC1CCOCC1.Cc1nn(C2CCOCC2)cc1Cc1cnccc1C(=O)O.NNC1CCOCC1.O=C1CCOCC1.

What is the InChIKey of tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine?

The InChIKey is BVJQUOOZWVKYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.C16H19N3O3.C10H20N2O3.C6H13NO2.C5H12N2O.C5H8O2/c1-12-15(9-14-10-18-6-3-17(14)13(2)21)11-20(19-12)16-4-7-22-8-5-16;1-11-13(8-12-9-17-5-2-15(12)16(20)21)10-19(18-11)14-3-6-22-7-4-14;1-10(2,3)15-9(13)12-11-8-4-6-14-7-5-8;1-6(2,3)9-5(8)4-7;6-7-5-1-3-8-4-2-5;6-5-1-3-7-4-2-5/h3,6,10-11,16H,4-5,7-9H2,1-2H3;2,5,9-10,14H,3-4,6-8H2,1H3,(H,20,21);8,11H,4-7H2,1-3H3,(H,12,13);4,7H2,1-3H3;5,7H,1-4,6H2;1-4H2.

What are the key properties of tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine?

tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine has a molecular weight of 1164.46 g/mol, XLogP of 6.43, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-aminoacetate;tert-butyl N-(oxan-4-ylamino)carbamate;3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;oxan-4-one;oxan-4-ylhydrazine is sourced from PubChem (CID 157474133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).