bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine

C8H16N2O6Pt — CID 173389375

IUPACbis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine
SMILESN[C@H]1CCNC1.O=C([O-])CO.O=C([O-])CO.[Pt+2]
InChIInChI=1S/C4H10N2.2C2H4O3.Pt/c5-4-1-2-6-3-4;2*3-1-2(4)5;/h4,6H,1-3,5H2;2*3H,1H2,(H,4,5);/q;;;+2/p-2/t4-;;;/m0.../s1
InChIKeyBOFKIKBQXMLTGC-WJXVXWFNSA-L
MW431.30 g/mol
LogP-5.24
Rot. Bonds2

About bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine

bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine (PubChem CID 173389375) has the molecular formula C8H16N2O6Pt and a molecular weight of 431.30 g/mol. Its IUPAC name is bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine.

Molecular Properties

Compound Namebis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine
PubChem CID173389375
Molecular FormulaC8H16N2O6Pt
Molecular Weight431.30 g/mol
Exact Mass431.07
IUPAC Namebis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine
SMILESN[C@H]1CCNC1.O=C([O-])CO.O=C([O-])CO.[Pt+2]
InChIInChI=1S/C4H10N2.2C2H4O3.Pt/c5-4-1-2-6-3-4;2*3-1-2(4)5;/h4,6H,1-3,5H2;2*3H,1H2,(H,4,5);/q;;;+2/p-2/t4-;;;/m0.../s1
InChIKeyBOFKIKBQXMLTGC-WJXVXWFNSA-L
XLogP-5.24
TPSA158.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 5-5.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
acetic acid;piperidin-4-amine
CID 172796704
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
CID 86319695
(3S)-azepan-3-amine
CID 7145038
piperidin-3-amine;hydrate
CID 90355910
(3S)-piperidin-3-amine;hydrate
CID 90355913
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
methyl pyrrolidin-3-ylmethyl carbonate
CID 79337934
dipotassium bis(2-hydroxyacetate)
CID 140653272

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine?
The IUPAC name of bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine (CID 173389375) is bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine.
What is the SMILES notation for bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine?
The canonical SMILES for bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine is N[C@H]1CCNC1.O=C([O-])CO.O=C([O-])CO.[Pt+2].
What is the InChIKey of bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine?
The InChIKey is BOFKIKBQXMLTGC-WJXVXWFNSA-L. The full InChI is InChI=1S/C4H10N2.2C2H4O3.Pt/c5-4-1-2-6-3-4;2*3-1-2(4)5;/h4,6H,1-3,5H2;2*3H,1H2,(H,4,5);/q;;;+2/p-2/t4-;;;/m0.../s1.
What are the key properties of bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine?
bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine has a molecular weight of 431.30 g/mol, XLogP of -5.24, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine is sourced from PubChem (CID 173389375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).