[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate

C15H25N2O10P — CID 129227264

About [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate

[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate (PubChem CID 129227264) has the molecular formula C15H25N2O10P and a molecular weight of 424.34 g/mol. Its IUPAC name is [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate.

Molecular Properties

• Compound Name: [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate
• PubChem CID: 129227264
• Molecular Formula: C15H25N2O10P
• Molecular Weight: 424.34 g/mol
• Exact Mass: 424.12
• IUPAC Name: [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate
• SMILES: COC(=O)CCNC(=O)[C@@H]1OP(=O)(OCOC(=O)C2CNCO2)OCC1(C)C
• InChI: InChI=1S/C15H25N2O10P/c1-15(2)7-25-28(21,26-9-24-14(20)10-6-16-8-23-10)27-12(15)13(19)17-5-4-11(18)22-3/h10,12,16H,4-9H2,1-3H3,(H,17,19)/t10?,12-,28?/m0/s1
• InChIKey: IECMQKLGEQGQGM-FYARTNMISA-N
• XLogP: -0.32
• TPSA: 147.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.34
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate?

The IUPAC name of [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate (CID 129227264) is [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate.

What is the SMILES notation for [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate?

The canonical SMILES for [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate is COC(=O)CCNC(=O)[C@@H]1OP(=O)(OCOC(=O)C2CNCO2)OCC1(C)C.

What is the InChIKey of [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate?

The InChIKey is IECMQKLGEQGQGM-FYARTNMISA-N. The full InChI is InChI=1S/C15H25N2O10P/c1-15(2)7-25-28(21,26-9-24-14(20)10-6-16-8-23-10)27-12(15)13(19)17-5-4-11(18)22-3/h10,12,16H,4-9H2,1-3H3,(H,17,19)/t10?,12-,28?/m0/s1.

What are the key properties of [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate?

[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate has a molecular weight of 424.34 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 129227264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).