acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde

C105H145ClF3N15O24 — CID 159419469

About acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde

acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde (PubChem CID 159419469) has the molecular formula C105H145ClF3N15O24 and a molecular weight of 2093.84 g/mol. Its IUPAC name is acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159419469
• Molecular Formula: C105H145ClF3N15O24
• Molecular Weight: 2093.84 g/mol
• Exact Mass: 2092.02
• IUPAC Name: acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde
• SMILES: CC(=O)Cl.CC(=O)N1CCCC12CN([C@H](C(=O)NCc1ccccc1)[C@@H](C)O)C2=O.CC(C)C(=O)N1CCCC12CN([C@H](C(=O)NCc1ccccc1)[C@@H](C)O)C2=O.C[C@@H](O)[C@@H](C(=O)NCc1ccccc1)N1CC2(CCCN2)C1=O.C[C@@H](O)[C@@H](C(=O)NCc1ccccc1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.C[C@@H](O)[C@@H](C(=O)O)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.NCc1ccccc1.O=CC(F)(F)F
• InChI: InChI=1S/C22H31N3O5.C21H29N3O4.C19H25N3O4.C17H23N3O3.C15H24N2O6.C7H9N.C2H3ClO.C2HF3O/c1-15(26)17(18(27)23-13-16-9-6-5-7-10-16)24-14-22(19(24)28)11-8-12-25(22)20(29)30-21(2,3)4;1-14(2)19(27)24-11-7-10-21(24)13-23(20(21)28)17(15(3)25)18(26)22-12-16-8-5-4-6-9-16;1-13(23)16(17(25)20-11-15-7-4-3-5-8-15)21-12-19(18(21)26)9-6-10-22(19)14(2)24;1-12(21)14(15(22)18-10-13-6-3-2-4-7-13)20-11-17(16(20)23)8-5-9-19-17;1-9(18)10(11(19)20)16-8-15(12(16)21)6-5-7-17(15)13(22)23-14(2,3)4;8-6-7-4-2-1-3-5-7;1-2(3)4;3-2(4,5)1-6/h5-7,9-10,15,17,26H,8,11-14H2,1-4H3,(H,23,27);4-6,8-9,14-15,17,25H,7,10-13H2,1-3H3,(H,22,26);3-5,7-8,13,16,23H,6,9-12H2,1-2H3,(H,20,25);2-4,6-7,12,14,19,21H,5,8-11H2,1H3,(H,18,22);9-10,18H,5-8H2,1-4H3,(H,19,20);1-5H,6,8H2;1H3;1H/t15-,17+,22?;15-,17+,21?;13-,16+,19?;12-,14+,17?;9-,10+,15?;;;/m11111.../s1
• InChIKey: LPORKODTZDLJCH-YTFIIWRQSA-N
• XLogP: 5.96
• TPSA: 528.29 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2093.84
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde (CID 159419469) is acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde is CC(=O)Cl.CC(=O)N1CCCC12CN([C@H](C(=O)NCc1ccccc1)[C@@H](C)O)C2=O.CC(C)C(=O)N1CCCC12CN([C@H](C(=O)NCc1ccccc1)[C@@H](C)O)C2=O.C[C@@H](O)[C@@H](C(=O)NCc1ccccc1)N1CC2(CCCN2)C1=O.C[C@@H](O)[C@@H](C(=O)NCc1ccccc1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.C[C@@H](O)[C@@H](C(=O)O)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.NCc1ccccc1.O=CC(F)(F)F.

What is the InChIKey of acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde?

The InChIKey is LPORKODTZDLJCH-YTFIIWRQSA-N. The full InChI is InChI=1S/C22H31N3O5.C21H29N3O4.C19H25N3O4.C17H23N3O3.C15H24N2O6.C7H9N.C2H3ClO.C2HF3O/c1-15(26)17(18(27)23-13-16-9-6-5-7-10-16)24-14-22(19(24)28)11-8-12-25(22)20(29)30-21(2,3)4;1-14(2)19(27)24-11-7-10-21(24)13-23(20(21)28)17(15(3)25)18(26)22-12-16-8-5-4-6-9-16;1-13(23)16(17(25)20-11-15-7-4-3-5-8-15)21-12-19(18(21)26)9-6-10-22(19)14(2)24;1-12(21)14(15(22)18-10-13-6-3-2-4-7-13)20-11-17(16(20)23)8-5-9-19-17;1-9(18)10(11(19)20)16-8-15(12(16)21)6-5-7-17(15)13(22)23-14(2,3)4;8-6-7-4-2-1-3-5-7;1-2(3)4;3-2(4,5)1-6/h5-7,9-10,15,17,26H,8,11-14H2,1-4H3,(H,23,27);4-6,8-9,14-15,17,25H,7,10-13H2,1-3H3,(H,22,26);3-5,7-8,13,16,23H,6,9-12H2,1-2H3,(H,20,25);2-4,6-7,12,14,19,21H,5,8-11H2,1H3,(H,18,22);9-10,18H,5-8H2,1-4H3,(H,19,20);1-5H,6,8H2;1H3;1H/t15-,17+,22?;15-,17+,21?;13-,16+,19?;12-,14+,17?;9-,10+,15?;;;/m11111.../s1.

What are the key properties of acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde?

acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde has a molecular weight of 2093.84 g/mol, XLogP of 5.96, 25 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159419469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).