2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate

C14H25NO6Pt — CID 153035795

IUPAC2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate
SMILESC=C(C)C(=O)O.C=C(O)C(=O)O.O.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C7H13N.C4H6O2.C3H4O3.H2O.Pt/c1-6-4-2-3-5-7(6)8;1-3(2)4(5)6;1-2(4)3(5)6;;/h6-8H,1-5H2;1H2,2H3,(H,5,6);4H,1H2,(H,5,6);1H2;/q-2;;;;+2
InChIKeyHPLJCSCBRUMYJL-UHFFFAOYSA-N
MW498.43 g/mol
LogP2.39
Rot. Bonds2

About 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate

2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate (PubChem CID 153035795) has the molecular formula C14H25NO6Pt and a molecular weight of 498.43 g/mol. Its IUPAC name is 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate.

Molecular Properties

Compound Name2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate
PubChem CID153035795
Molecular FormulaC14H25NO6Pt
Molecular Weight498.43 g/mol
Exact Mass498.13
IUPAC Name2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate
SMILESC=C(C)C(=O)O.C=C(O)C(=O)O.O.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C7H13N.C4H6O2.C3H4O3.H2O.Pt/c1-6-4-2-3-5-7(6)8;1-3(2)4(5)6;1-2(4)3(5)6;;/h6-8H,1-5H2;1H2,2H3,(H,5,6);4H,1H2,(H,5,6);1H2;/q-2;;;;+2
InChIKeyHPLJCSCBRUMYJL-UHFFFAOYSA-N
XLogP2.39
TPSA150.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate?
The IUPAC name of 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate (CID 153035795) is 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate.
What is the SMILES notation for 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate?
The canonical SMILES for 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate is C=C(C)C(=O)O.C=C(O)C(=O)O.O.[CH2-]C1CCCCC1[NH-].[Pt+2].
What is the InChIKey of 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate?
The InChIKey is HPLJCSCBRUMYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C4H6O2.C3H4O3.H2O.Pt/c1-6-4-2-3-5-7(6)8;1-3(2)4(5)6;1-2(4)3(5)6;;/h6-8H,1-5H2;1H2,2H3,(H,5,6);4H,1H2,(H,5,6);1H2;/q-2;;;;+2.
What are the key properties of 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate?
2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate has a molecular weight of 498.43 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate is sourced from PubChem (CID 153035795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).