tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde

C56H78F3N15O13 — CID 161155791

About tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde

tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde (PubChem CID 161155791) has the molecular formula C56H78F3N15O13 and a molecular weight of 1226.33 g/mol. Its IUPAC name is tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161155791
• Molecular Formula: C56H78F3N15O13
• Molecular Weight: 1226.33 g/mol
• Exact Mass: 1225.59
• IUPAC Name: tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)C(=O)N1CCCC12CN(CC(=O)NC(c1ncccn1)C(C)O)C2=O.CC(O)C(NC(=O)CN1CC2(CCCN2)C1=O)c1ncccn1.CC(O)C(NC(=O)CN1CC2(CCCN2C(=O)OC(C)(C)C)C1=O)c1ncccn1.O=CC(F)(F)F
• InChI: InChI=1S/C20H29N5O5.C19H27N5O4.C15H21N5O3.C2HF3O/c1-13(26)15(16-21-8-6-9-22-16)23-14(27)11-24-12-20(17(24)28)7-5-10-25(20)18(29)30-19(2,3)4;1-12(2)17(27)24-9-4-6-19(24)11-23(18(19)28)10-14(26)22-15(13(3)25)16-20-7-5-8-21-16;1-10(21)12(13-16-5-3-6-17-13)19-11(22)8-20-9-15(14(20)23)4-2-7-18-15;3-2(4,5)1-6/h6,8-9,13,15,26H,5,7,10-12H2,1-4H3,(H,23,27);5,7-8,12-13,15,25H,4,6,9-11H2,1-3H3,(H,22,26);3,5-6,10,12,18,21H,2,4,7-9H2,1H3,(H,19,22);1H
• InChIKey: UPGSOBVJUNQRAA-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 365.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.33
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde (CID 161155791) is tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde is CC(C)C(=O)N1CCCC12CN(CC(=O)NC(c1ncccn1)C(C)O)C2=O.CC(O)C(NC(=O)CN1CC2(CCCN2)C1=O)c1ncccn1.CC(O)C(NC(=O)CN1CC2(CCCN2C(=O)OC(C)(C)C)C1=O)c1ncccn1.O=CC(F)(F)F.

What is the InChIKey of tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is UPGSOBVJUNQRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5.C19H27N5O4.C15H21N5O3.C2HF3O/c1-13(26)15(16-21-8-6-9-22-16)23-14(27)11-24-12-20(17(24)28)7-5-10-25(20)18(29)30-19(2,3)4;1-12(2)17(27)24-9-4-6-19(24)11-23(18(19)28)10-14(26)22-15(13(3)25)16-20-7-5-8-21-16;1-10(21)12(13-16-5-3-6-17-13)19-11(22)8-20-9-15(14(20)23)4-2-7-18-15;3-2(4,5)1-6/h6,8-9,13,15,26H,5,7,10-12H2,1-4H3,(H,23,27);5,7-8,12-13,15,25H,4,6,9-11H2,1-3H3,(H,22,26);3,5-6,10,12,18,21H,2,4,7-9H2,1H3,(H,19,22);1H.

What are the key properties of tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde?

tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 1226.33 g/mol, XLogP of 0.23, 16 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161155791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).