3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)

C14H22N2O6Pt — CID 42610849

IUPAC3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)
SMILESCC(=O)OC1CC(C(=O)[O-])(C(=O)[O-])C1.NCC1CCC1CN.[Pt+2]
InChIInChI=1S/C8H10O6.C6H14N2.Pt/c1-4(9)14-5-2-8(3-5,6(10)11)7(12)13;7-3-5-1-2-6(5)4-8;/h5H,2-3H2,1H3,(H,10,11)(H,12,13);5-6H,1-4,7-8H2;/q;;+2/p-2
InChIKeySSPSKDGDYWLGPO-UHFFFAOYSA-L
MW509.42 g/mol
LogP-2.87
Rot. Bonds5

About 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)

3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+) (PubChem CID 42610849) has the molecular formula C14H22N2O6Pt and a molecular weight of 509.42 g/mol. Its IUPAC name is 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+).

Molecular Properties

Compound Name3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)
PubChem CID42610849
Molecular FormulaC14H22N2O6Pt
Molecular Weight509.42 g/mol
Exact Mass509.11
IUPAC Name3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)
SMILESCC(=O)OC1CC(C(=O)[O-])(C(=O)[O-])C1.NCC1CCC1CN.[Pt+2]
InChIInChI=1S/C8H10O6.C6H14N2.Pt/c1-4(9)14-5-2-8(3-5,6(10)11)7(12)13;7-3-5-1-2-6(5)4-8;/h5H,2-3H2,1H3,(H,10,11)(H,12,13);5-6H,1-4,7-8H2;/q;;+2/p-2
InChIKeySSPSKDGDYWLGPO-UHFFFAOYSA-L
XLogP-2.87
TPSA158.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.42
LogP ≤ 5-2.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+) with MolForge

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Related Compounds

[2-(aminomethyl)cyclopentyl] acetate
CID 174436226
[2-(aminomethyl)cyclobutyl]methanamine;2-oxidopropanoate;platinum(4+)
CID 74257205
(4,4-diaminocyclohexyl) acetate
CID 174708289
[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate
CID 121370332
(6-acetyloxycyclodecyl) acetate
CID 539578
(2,2-difluoropiperidin-4-yl) acetate
CID 174917089
cycloheptadecyl acetate
CID 57215828
[(1S,3R)-3-acetyl-3,4,4-trimethylcyclopentyl] acetate
CID 15375852
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
CID 101373916
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
(Z)-but-2-enedioate;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate)
CID 68791161

Frequently Asked Questions

What is the IUPAC name of 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)?
The IUPAC name of 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+) (CID 42610849) is 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+).
What is the SMILES notation for 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)?
The canonical SMILES for 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+) is CC(=O)OC1CC(C(=O)[O-])(C(=O)[O-])C1.NCC1CCC1CN.[Pt+2].
What is the InChIKey of 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)?
The InChIKey is SSPSKDGDYWLGPO-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O6.C6H14N2.Pt/c1-4(9)14-5-2-8(3-5,6(10)11)7(12)13;7-3-5-1-2-6(5)4-8;/h5H,2-3H2,1H3,(H,10,11)(H,12,13);5-6H,1-4,7-8H2;/q;;+2/p-2.
What are the key properties of 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+)?
3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+) has a molecular weight of 509.42 g/mol, XLogP of -2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyloxycyclobutane-1,1-dicarboxylate;[2-(aminomethyl)cyclobutyl]methanamine;platinum(2+) is sourced from PubChem (CID 42610849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).