[(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate

C19H32NO10P — CID 129226664

IUPAC[(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOP1(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)OC2CCOC2)O1
InChIInChI=1S/C19H32NO10P/c1-18(2,3)17(23)26-12-28-31(24)27-11-19(4,5)15(30-31)16(22)20-8-6-14(21)29-13-7-9-25-10-13/h13,15H,6-12H2,1-5H3,(H,20,22)/t13?,15-,31?/m0/s1
InChIKeyBZEHXWLTGRPBES-DSNNYFJASA-N
MW465.44 g/mol
LogP1.94
Rot. Bonds8

About [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate

[(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate (PubChem CID 129226664) has the molecular formula C19H32NO10P and a molecular weight of 465.44 g/mol. Its IUPAC name is [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
PubChem CID129226664
Molecular FormulaC19H32NO10P
Molecular Weight465.44 g/mol
Exact Mass465.18
IUPAC Name[(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOP1(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)OC2CCOC2)O1
InChIInChI=1S/C19H32NO10P/c1-18(2,3)17(23)26-12-28-31(24)27-11-19(4,5)15(30-31)16(22)20-8-6-14(21)29-13-7-9-25-10-13/h13,15H,6-12H2,1-5H3,(H,20,22)/t13?,15-,31?/m0/s1
InChIKeyBZEHXWLTGRPBES-DSNNYFJASA-N
XLogP1.94
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
CID 129218169
[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl butanoate
CID 129218195
[(2R,4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
CID 129218273
[(2S,4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
CID 129218336
[(4R)-5,5-dimethyl-4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
CID 129218356
[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 2-methylpropanoate
CID 129218419
[(2S,4R)-4-[(3-ethoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate
CID 129218446
3-[[(2S,4R)-2-(2,2-dimethylpropanoyloxymethoxy)-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinane-4-carbonyl]amino]propanoic acid
CID 129218840
[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 1-carbamoylcyclopropane-1-carboxylate
CID 129226785
[(4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl 2-ethylbutanoate
CID 129226820
methyl 3-[[(4R)-5,5-dimethyl-2-oxo-2-(propan-2-yloxycarbonyloxymethoxy)-1,3,2lambda5-dioxaphosphinane-4-carbonyl]amino]propanoate
CID 129227092
1-[[(2S,4R)-4-[(3-methoxy-3-oxopropyl)carbamoyl]-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]oxy]ethyl 2,2-dimethylpropanoate
CID 162667479

Frequently Asked Questions

What is the IUPAC name of [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate?
The IUPAC name of [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate (CID 129226664) is [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOP1(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)OC2CCOC2)O1.
What is the InChIKey of [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate?
The InChIKey is BZEHXWLTGRPBES-DSNNYFJASA-N. The full InChI is InChI=1S/C19H32NO10P/c1-18(2,3)17(23)26-12-28-31(24)27-11-19(4,5)15(30-31)16(22)20-8-6-14(21)29-13-7-9-25-10-13/h13,15H,6-12H2,1-5H3,(H,20,22)/t13?,15-,31?/m0/s1.
What are the key properties of [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate?
[(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate has a molecular weight of 465.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5,5-dimethyl-2-oxo-4-[[3-oxo-3-(oxolan-3-yloxy)propyl]carbamoyl]-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 129226664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).