2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

C98H154N6O24P6 — CID 160852821

About 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (PubChem CID 160852821) has the molecular formula C98H154N6O24P6 and a molecular weight of 1986.17 g/mol. Its IUPAC name is 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
• PubChem CID: 160852821
• Molecular Formula: C98H154N6O24P6
• Molecular Weight: 1986.17 g/mol
• Exact Mass: 1984.94
• IUPAC Name: 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
• SMILES: CC(C)OC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@@](=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)C(C)(C)C.CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)C(C)C.C[C@H](NP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)OCC(C)(C)C
• InChI: InChI=1S/C22H32NO4P.C16H26NO4P.4C15H24NO4P/c1-16(20(24)26-15-21(2,3)4)23-28(25,22(5,6)7)27-19-14-10-12-17-11-8-9-13-18(17)19;1-12(2)20-15(18)13(3)17-22(19,16(4,5)6)21-14-10-8-7-9-11-14;4*1-11(2)19-15(17)13(5)16-21(18,12(3)4)20-14-9-7-6-8-10-14/h8-14,16H,15H2,1-7H3,(H,23,25);7-13H,1-6H3,(H,17,19);4*6-13H,1-5H3,(H,16,18)/t16-,28?;13-,22-;2*13-,21?;2*13-,21+/m001010/s1
• InChIKey: SJMDBWQHERLBMO-GAXBHZNOSA-N
• XLogP: 24.15
• TPSA: 387.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.17
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

The IUPAC name of 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (CID 160852821) is 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.

What is the SMILES notation for 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

The canonical SMILES for 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is CC(C)OC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@@](=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)C(C)(C)C.CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)C(C)C.C[C@H](NP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)OCC(C)(C)C.

What is the InChIKey of 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

The InChIKey is SJMDBWQHERLBMO-GAXBHZNOSA-N. The full InChI is InChI=1S/C22H32NO4P.C16H26NO4P.4C15H24NO4P/c1-16(20(24)26-15-21(2,3)4)23-28(25,22(5,6)7)27-19-14-10-12-17-11-8-9-13-18(17)19;1-12(2)20-15(18)13(3)17-22(19,16(4,5)6)21-14-10-8-7-9-11-14;4*1-11(2)19-15(17)13(5)16-21(18,12(3)4)20-14-9-7-6-8-10-14/h8-14,16H,15H2,1-7H3,(H,23,25);7-13H,1-6H3,(H,17,19);4*6-13H,1-5H3,(H,16,18)/t16-,28?;13-,22-;2*13-,21?;2*13-,21+/m001010/s1.

What are the key properties of 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate has a molecular weight of 1986.17 g/mol, XLogP of 24.15, 40 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is sourced from PubChem (CID 160852821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).