(2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate

C19H35NO10P2 — CID 87926400

IUPAC(2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate
SMILESCC(C)OP(=O)(OC(C)C)C(CC(=O)ON1C(=O)CCC1=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C19H35NO10P2/c1-12(2)27-31(24,28-13(3)4)19(32(25,29-14(5)6)30-15(7)8)11-18(23)26-20-16(21)9-10-17(20)22/h12-15,19H,9-11H2,1-8H3
InChIKeyZLLPKYIJBVIOCP-UHFFFAOYSA-N
MW499.43 g/mol
LogP4.40
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate

(2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate (PubChem CID 87926400) has the molecular formula C19H35NO10P2 and a molecular weight of 499.43 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate
PubChem CID87926400
Molecular FormulaC19H35NO10P2
Molecular Weight499.43 g/mol
Exact Mass499.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate
SMILESCC(C)OP(=O)(OC(C)C)C(CC(=O)ON1C(=O)CCC1=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C19H35NO10P2/c1-12(2)27-31(24,28-13(3)4)19(32(25,29-14(5)6)30-15(7)8)11-18(23)26-20-16(21)9-10-17(20)22/h12-15,19H,9-11H2,1-8H3
InChIKeyZLLPKYIJBVIOCP-UHFFFAOYSA-N
XLogP4.40
TPSA134.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
(2,5-dioxopyrrolidin-1-yl) 4-oxo-3-sulfanylpentanoate
CID 87561676
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 4,4-dihydroxy-3-(methylamino)butanoate
CID 163583382
bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
CID 147117897
(2,5-dioxopyrrolidin-1-yl) 3,3-bis(3-methoxypropoxy)propanoate
CID 59859142
(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate
CID 89242702
(2,5-dioxopyrrolidin-1-yl) 2-(1-ethoxyethylsulfanyl)acetate
CID 10659065
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate
CID 126611155
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) 2-methylpentanedioate
CID 166007558

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate (CID 87926400) is (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate is CC(C)OP(=O)(OC(C)C)C(CC(=O)ON1C(=O)CCC1=O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate?
The InChIKey is ZLLPKYIJBVIOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO10P2/c1-12(2)27-31(24,28-13(3)4)19(32(25,29-14(5)6)30-15(7)8)11-18(23)26-20-16(21)9-10-17(20)22/h12-15,19H,9-11H2,1-8H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate has a molecular weight of 499.43 g/mol, XLogP of 4.40, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3,3-bis[di(propan-2-yloxy)phosphoryl]propanoate is sourced from PubChem (CID 87926400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).