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

C16H27N2O10P — CID 129227086

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

[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 4-methyl-1,3-oxazolidine-5-carboxylate (PubChem CID 129227086) has the molecular formula C16H27N2O10P and a molecular weight of 438.37 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 4-methyl-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 4-methyl-1,3-oxazolidine-5-carboxylate
• PubChem CID: 129227086
• Molecular Formula: C16H27N2O10P
• Molecular Weight: 438.37 g/mol
• Exact Mass: 438.14
• IUPAC Name: [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 4-methyl-1,3-oxazolidine-5-carboxylate
• SMILES: COC(=O)CCNC(=O)[C@@H]1OP(=O)(OCOC(=O)C2OCNC2C)OCC1(C)C
• InChI: InChI=1S/C16H27N2O10P/c1-10-12(24-8-18-10)15(21)25-9-27-29(22)26-7-16(2,3)13(28-29)14(20)17-6-5-11(19)23-4/h10,12-13,18H,5-9H2,1-4H3,(H,17,20)/t10?,12?,13-,29?/m0/s1
• InChIKey: DSXGRGCYBCAXIK-OBALNCCYSA-N
• XLogP: 0.07
• TPSA: 147.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.37
LogP ≤ 5	0.07
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 4-methyl-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 4-methyl-1,3-oxazolidine-5-carboxylate (CID 129227086) is [(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 4-methyl-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 4-methyl-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 4-methyl-1,3-oxazolidine-5-carboxylate is COC(=O)CCNC(=O)[C@@H]1OP(=O)(OCOC(=O)C2OCNC2C)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 4-methyl-1,3-oxazolidine-5-carboxylate?

The InChIKey is DSXGRGCYBCAXIK-OBALNCCYSA-N. The full InChI is InChI=1S/C16H27N2O10P/c1-10-12(24-8-18-10)15(21)25-9-27-29(22)26-7-16(2,3)13(28-29)14(20)17-6-5-11(19)23-4/h10,12-13,18H,5-9H2,1-4H3,(H,17,20)/t10?,12?,13-,29?/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 4-methyl-1,3-oxazolidine-5-carboxylate?

[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 4-methyl-1,3-oxazolidine-5-carboxylate has a molecular weight of 438.37 g/mol, XLogP of 0.07, 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 4-methyl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 129227086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).