aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid

C14H29N3O11P2 — CID 157180874

IUPACaminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid
SMILESCCC(=O)NCOP(C)(=O)O.CCC(=O)ON1C(=O)CCC1=O.CP(=O)(O)OCN
InChIInChI=1S/C7H9NO4.C5H12NO4P.C2H8NO3P/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-3-5(7)6-4-10-11(2,8)9;1-7(4,5)6-2-3/h2-4H2,1H3;3-4H2,1-2H3,(H,6,7)(H,8,9);2-3H2,1H3,(H,4,5)
InChIKeyAOOAVFAHXDZARC-UHFFFAOYSA-N
MW477.34 g/mol
LogP0.04
Rot. Bonds8

About aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid

aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid (PubChem CID 157180874) has the molecular formula C14H29N3O11P2 and a molecular weight of 477.34 g/mol. Its IUPAC name is aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid.

Molecular Properties

Compound Nameaminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid
PubChem CID157180874
Molecular FormulaC14H29N3O11P2
Molecular Weight477.34 g/mol
Exact Mass477.13
IUPAC Nameaminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid
SMILESCCC(=O)NCOP(C)(=O)O.CCC(=O)ON1C(=O)CCC1=O.CP(=O)(O)OCN
InChIInChI=1S/C7H9NO4.C5H12NO4P.C2H8NO3P/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-3-5(7)6-4-10-11(2,8)9;1-7(4,5)6-2-3/h2-4H2,1H3;3-4H2,1-2H3,(H,6,7)(H,8,9);2-3H2,1H3,(H,4,5)
InChIKeyAOOAVFAHXDZARC-UHFFFAOYSA-N
XLogP0.04
TPSA211.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.34
LogP ≤ 50.04
H-Bond Donors ≤ 54
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
CID 121327288
CID 20768516
CID 20768516
[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(propanoylamino)ethyl]sulfamic acid
CID 149480299
3-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(methoxymethyl) propanedioate
CID 159591316
bis(2,5-dioxopyrrolidin-1-yl) 2-acetamidobutanedioate
CID 147117897
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
methyl (2S,3S)-2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]-3-methylpentanoate
CID 88773797
(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
CID 131842713
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-ethylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 138700216
(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine
CID 145317347

Frequently Asked Questions

What is the IUPAC name of aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid?
The IUPAC name of aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid (CID 157180874) is aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid.
What is the SMILES notation for aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid?
The canonical SMILES for aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid is CCC(=O)NCOP(C)(=O)O.CCC(=O)ON1C(=O)CCC1=O.CP(=O)(O)OCN.
What is the InChIKey of aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid?
The InChIKey is AOOAVFAHXDZARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4.C5H12NO4P.C2H8NO3P/c1-2-7(11)12-8-5(9)3-4-6(8)10;1-3-5(7)6-4-10-11(2,8)9;1-7(4,5)6-2-3/h2-4H2,1H3;3-4H2,1-2H3,(H,6,7)(H,8,9);2-3H2,1H3,(H,4,5).
What are the key properties of aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid?
aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid has a molecular weight of 477.34 g/mol, XLogP of 0.04, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethoxy(methyl)phosphinic acid;(2,5-dioxopyrrolidin-1-yl) propanoate;methyl-[(propanoylamino)methoxy]phosphinic acid is sourced from PubChem (CID 157180874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).