platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide

C8H14N2O4Pt — CID 59892941

IUPACplatinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide
SMILESO=C(O)CC(=O)O.[NH-]C[C@@H]1CCC[N-]1.[Pt+2]
InChIInChI=1S/C5H10N2.C3H4O4.Pt/c6-4-5-2-1-3-7-5;4-2(5)1-3(6)7;/h5-6H,1-4H2;1H2,(H,4,5)(H,6,7);/q-2;;+2/t5-;;/m0../s1
InChIKeyJUEDSJGZHBDCIE-XRIGFGBMSA-N
MW397.29 g/mol
LogP1.12
Rot. Bonds3

About platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide

platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide (PubChem CID 59892941) has the molecular formula C8H14N2O4Pt and a molecular weight of 397.29 g/mol. Its IUPAC name is platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide.

Molecular Properties

Compound Nameplatinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide
PubChem CID59892941
Molecular FormulaC8H14N2O4Pt
Molecular Weight397.29 g/mol
Exact Mass397.06
IUPAC Nameplatinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide
SMILESO=C(O)CC(=O)O.[NH-]C[C@@H]1CCC[N-]1.[Pt+2]
InChIInChI=1S/C5H10N2.C3H4O4.Pt/c6-4-5-2-1-3-7-5;4-2(5)1-3(6)7;/h5-6H,1-4H2;1H2,(H,4,5)(H,6,7);/q-2;;+2/t5-;;/m0../s1
InChIKeyJUEDSJGZHBDCIE-XRIGFGBMSA-N
XLogP1.12
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide?
The IUPAC name of platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide (CID 59892941) is platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide.
What is the SMILES notation for platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide?
The canonical SMILES for platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide is O=C(O)CC(=O)O.[NH-]C[C@@H]1CCC[N-]1.[Pt+2].
What is the InChIKey of platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide?
The InChIKey is JUEDSJGZHBDCIE-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H10N2.C3H4O4.Pt/c6-4-5-2-1-3-7-5;4-2(5)1-3(6)7;/h5-6H,1-4H2;1H2,(H,4,5)(H,6,7);/q-2;;+2/t5-;;/m0../s1.
What are the key properties of platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide?
platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide has a molecular weight of 397.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);propanedioic acid;[(2S)-pyrrolidin-1-id-2-yl]methylazanide is sourced from PubChem (CID 59892941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).