azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid

C10H24N3O8PPt — CID 159359328

IUPACazanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid
SMILESO=C(O)C(CCCN1CCCC1)C(=O)O.O=[P+]([O-])OO.[H][H].[NH2-].[NH2-].[Pt+2]
InChIInChI=1S/C10H17NO4.2H2N.HO4P.Pt.H2/c12-9(13)8(10(14)15)4-3-7-11-5-1-2-6-11;;;1-4-5(2)3;;/h8H,1-7H2,(H,12,13)(H,14,15);2*1H2;1H;;1H/q;2*-1;;+2;
InChIKeyDWNOGBPAQVRUHF-UHFFFAOYSA-N
MW540.37 g/mol
LogP1.82
Rot. Bonds7

About azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid

azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid (PubChem CID 159359328) has the molecular formula C10H24N3O8PPt and a molecular weight of 540.37 g/mol. Its IUPAC name is azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid.

Molecular Properties

Compound Nameazanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid
PubChem CID159359328
Molecular FormulaC10H24N3O8PPt
Molecular Weight540.37 g/mol
Exact Mass540.09
IUPAC Nameazanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid
SMILESO=C(O)C(CCCN1CCCC1)C(=O)O.O=[P+]([O-])OO.[H][H].[NH2-].[NH2-].[Pt+2]
InChIInChI=1S/C10H17NO4.2H2N.HO4P.Pt.H2/c12-9(13)8(10(14)15)4-3-7-11-5-1-2-6-11;;;1-4-5(2)3;;/h8H,1-7H2,(H,12,13)(H,14,15);2*1H2;1H;;1H/q;2*-1;;+2;
InChIKeyDWNOGBPAQVRUHF-UHFFFAOYSA-N
XLogP1.82
TPSA214.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

disodium;2-(4-pyrrolidin-1-ylbutyl)propanedioate
CID 130290663
2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
azane;2-(3-piperidin-1-ylpropyl)butanedioate;platinum(2+)
CID 71543850
2-phosphono-3-(4-pyrrolidin-1-ylbutyl)butanedioic acid
CID 19955313
2-amino-5-pyrrolidin-1-ylpentanamide
CID 64990875
2-phosphono-3-(5-pyrrolidin-1-ylpentyl)butanedioic acid
CID 19955333
2-hydroxy-4-piperidin-1-ylbutanoic acid
CID 107841705
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833
2-amino-5-piperidin-1-ylpentanamide
CID 89453537
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrrolidin-1-ylpentanoic acid
CID 146596654
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465

Frequently Asked Questions

What is the IUPAC name of azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid?
The IUPAC name of azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid (CID 159359328) is azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid.
What is the SMILES notation for azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid?
The canonical SMILES for azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid is O=C(O)C(CCCN1CCCC1)C(=O)O.O=[P+]([O-])OO.[H][H].[NH2-].[NH2-].[Pt+2].
What is the InChIKey of azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid?
The InChIKey is DWNOGBPAQVRUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.2H2N.HO4P.Pt.H2/c12-9(13)8(10(14)15)4-3-7-11-5-1-2-6-11;;;1-4-5(2)3;;/h8H,1-7H2,(H,12,13)(H,14,15);2*1H2;1H;;1H/q;2*-1;;+2;.
What are the key properties of azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid?
azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid has a molecular weight of 540.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid is sourced from PubChem (CID 159359328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).