[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum

C15H24Cl2N2O8Pt — CID 52913700

IUPAC[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum
SMILESCCC1O[C@H](CN)[C@@H](CN)O1.O=C(OC1CC(C(=O)O)(C(=O)O)C1)C(Cl)Cl.[Pt]
InChIInChI=1S/C8H8Cl2O6.C7H16N2O2.Pt/c9-4(10)5(11)16-3-1-8(2-3,6(12)13)7(14)15;1-2-7-10-5(3-8)6(4-9)11-7;/h3-4H,1-2H2,(H,12,13)(H,14,15);5-7H,2-4,8-9H2,1H3;/t;5-,6-;/m.1./s1
InChIKeyCSTVCJCGQBANKE-JGHXHLRYSA-N
MW626.35 g/mol
LogP0.07
Rot. Bonds7

About [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum

[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum (PubChem CID 52913700) has the molecular formula C15H24Cl2N2O8Pt and a molecular weight of 626.35 g/mol. Its IUPAC name is [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum.

Molecular Properties

Compound Name[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum
PubChem CID52913700
Molecular FormulaC15H24Cl2N2O8Pt
Molecular Weight626.35 g/mol
Exact Mass625.06
IUPAC Name[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum
SMILESCCC1O[C@H](CN)[C@@H](CN)O1.O=C(OC1CC(C(=O)O)(C(=O)O)C1)C(Cl)Cl.[Pt]
InChIInChI=1S/C8H8Cl2O6.C7H16N2O2.Pt/c9-4(10)5(11)16-3-1-8(2-3,6(12)13)7(14)15;1-2-7-10-5(3-8)6(4-9)11-7;/h3-4H,1-2H2,(H,12,13)(H,14,15);5-7H,2-4,8-9H2,1H3;/t;5-,6-;/m.1./s1
InChIKeyCSTVCJCGQBANKE-JGHXHLRYSA-N
XLogP0.07
TPSA171.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.35
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum?
The IUPAC name of [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum (CID 52913700) is [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum.
What is the SMILES notation for [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum?
The canonical SMILES for [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum is CCC1O[C@H](CN)[C@@H](CN)O1.O=C(OC1CC(C(=O)O)(C(=O)O)C1)C(Cl)Cl.[Pt].
What is the InChIKey of [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum?
The InChIKey is CSTVCJCGQBANKE-JGHXHLRYSA-N. The full InChI is InChI=1S/C8H8Cl2O6.C7H16N2O2.Pt/c9-4(10)5(11)16-3-1-8(2-3,6(12)13)7(14)15;1-2-7-10-5(3-8)6(4-9)11-7;/h3-4H,1-2H2,(H,12,13)(H,14,15);5-7H,2-4,8-9H2,1H3;/t;5-,6-;/m.1./s1.
What are the key properties of [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum?
[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum has a molecular weight of 626.35 g/mol, XLogP of 0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine;3-(2,2-dichloroacetyl)oxycyclobutane-1,1-dicarboxylic acid;platinum is sourced from PubChem (CID 52913700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).