oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine

C9H18N2O4Pt — CID 88639332

IUPACoxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(N)CN1CCCC1.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/C7H16N2.C2H2O4.Pt/c1-7(8)6-9-4-2-3-5-9;3-1(4)2(5)6;/h7H,2-6,8H2,1H3;(H,3,4)(H,5,6);
InChIKeyMLAUMKAMKXLWSQ-UHFFFAOYSA-N
MW413.33 g/mol
LogP-0.42
Rot. Bonds2

About oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine

oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 88639332) has the molecular formula C9H18N2O4Pt and a molecular weight of 413.33 g/mol. Its IUPAC name is oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Nameoxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
PubChem CID88639332
Molecular FormulaC9H18N2O4Pt
Molecular Weight413.33 g/mol
Exact Mass413.09
IUPAC Nameoxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(N)CN1CCCC1.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/C7H16N2.C2H2O4.Pt/c1-7(8)6-9-4-2-3-5-9;3-1(4)2(5)6;/h7H,2-6,8H2,1H3;(H,3,4)(H,5,6);
InChIKeyMLAUMKAMKXLWSQ-UHFFFAOYSA-N
XLogP-0.42
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-aminopropyl)piperazin-1-yl]ethanone
CID 16787068
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one
CID 151842926
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
(3S)-1-[(2S)-2-aminopropyl]piperidin-3-ol
CID 124547059
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine
CID 127004218
1-[(2R)-2-aminopropyl]piperidin-4-ol
CID 130939157
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085

Frequently Asked Questions

What is the IUPAC name of oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine (CID 88639332) is oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine is CC(N)CN1CCCC1.O=C(O)C(=O)O.[Pt].
What is the InChIKey of oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is MLAUMKAMKXLWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H2O4.Pt/c1-7(8)6-9-4-2-3-5-9;3-1(4)2(5)6;/h7H,2-6,8H2,1H3;(H,3,4)(H,5,6);.
What are the key properties of oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine?
oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 413.33 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 88639332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).