azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)

C9H24N3O8PPt — CID 71609618

IUPACazane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)
SMILESCCN(CC)CCC(C(=O)[O-])C(=O)[O-].N.N.O=P(O)(O)O.[Pt+2]
InChIInChI=1S/C9H17NO4.2H3N.H3O4P.Pt/c1-3-10(4-2)6-5-7(8(11)12)9(13)14;;;1-5(2,3)4;/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14);2*1H3;(H3,1,2,3,4);/q;;;;+2/p-2
InChIKeyRCLJJYYQABTQBD-UHFFFAOYSA-L
MW528.36 g/mol
LogP-2.77
Rot. Bonds7

About azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)

azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+) (PubChem CID 71609618) has the molecular formula C9H24N3O8PPt and a molecular weight of 528.36 g/mol. Its IUPAC name is azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+).

Molecular Properties

Compound Nameazane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)
PubChem CID71609618
Molecular FormulaC9H24N3O8PPt
Molecular Weight528.36 g/mol
Exact Mass528.09
IUPAC Nameazane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)
SMILESCCN(CC)CCC(C(=O)[O-])C(=O)[O-].N.N.O=P(O)(O)O.[Pt+2]
InChIInChI=1S/C9H17NO4.2H3N.H3O4P.Pt/c1-3-10(4-2)6-5-7(8(11)12)9(13)14;;;1-5(2,3)4;/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14);2*1H3;(H3,1,2,3,4);/q;;;;+2/p-2
InChIKeyRCLJJYYQABTQBD-UHFFFAOYSA-L
XLogP-2.77
TPSA231.26 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.36
LogP ≤ 5-2.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)
CID 71481446
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
lithium;potassium;2-propylpropanedioate
CID 139411515
N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate
CID 87289992
4-(diethylamino)butanoate;dihydrochloride
CID 21450375
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
(3R)-3-amino-5-(diethylamino)pentan-2-one
CID 88995223
dilithium;2-pentylpropanedioate
CID 139411543
6-(diethylamino)-4-methylhexanoic acid
CID 79695206
magnesium 2-ethylpropanedioate
CID 22261989
dialuminum;tris(2-ethylpropanedioate)
CID 157429593
N,N-diethylethanamine;fluorophosphonic acid
CID 173141880

Frequently Asked Questions

What is the IUPAC name of azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)?
The IUPAC name of azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+) (CID 71609618) is azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+).
What is the SMILES notation for azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)?
The canonical SMILES for azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+) is CCN(CC)CCC(C(=O)[O-])C(=O)[O-].N.N.O=P(O)(O)O.[Pt+2].
What is the InChIKey of azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)?
The InChIKey is RCLJJYYQABTQBD-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H17NO4.2H3N.H3O4P.Pt/c1-3-10(4-2)6-5-7(8(11)12)9(13)14;;;1-5(2,3)4;/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14);2*1H3;(H3,1,2,3,4);/q;;;;+2/p-2.
What are the key properties of azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)?
azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+) has a molecular weight of 528.36 g/mol, XLogP of -2.77, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+) is sourced from PubChem (CID 71609618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).