bis(2,4-diamino-4-oxobutanoic acid);palladium

C8H16N4O6Pd — CID 3531876

IUPACbis(2,4-diamino-4-oxobutanoic acid);palladium
SMILESNC(=O)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.[Pd]
InChIInChI=1S/2C4H8N2O3.Pd/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H2,6,7)(H,8,9);
InChIKeyKSYVGGOFRATTQZ-UHFFFAOYSA-N
MW370.66 g/mol
LogP-3.46
Rot. Bonds6

About bis(2,4-diamino-4-oxobutanoic acid);palladium

bis(2,4-diamino-4-oxobutanoic acid);palladium (PubChem CID 3531876) has the molecular formula C8H16N4O6Pd and a molecular weight of 370.66 g/mol. Its IUPAC name is bis(2,4-diamino-4-oxobutanoic acid);palladium.

Molecular Properties

Compound Namebis(2,4-diamino-4-oxobutanoic acid);palladium
PubChem CID3531876
Molecular FormulaC8H16N4O6Pd
Molecular Weight370.66 g/mol
Exact Mass370.01
IUPAC Namebis(2,4-diamino-4-oxobutanoic acid);palladium
SMILESNC(=O)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.[Pd]
InChIInChI=1S/2C4H8N2O3.Pd/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H2,6,7)(H,8,9);
InChIKeyKSYVGGOFRATTQZ-UHFFFAOYSA-N
XLogP-3.46
TPSA212.82 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 5-3.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 21226082
(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173165930
pentakis(2-aminoacetic acid);bis(2,4-diamino-4-oxobutanoic acid)
CID 18680457
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 22648435
2-aminoacetamide;2-aminoacetic acid;2,4-diamino-4-oxobutanoic acid
CID 18676827
2-aminoethanol;2,4-diamino-4-oxobutanoic acid
CID 174977424
(2S)-2-aminopentanedioic acid;bis((2S)-2,4-diamino-4-oxobutanoic acid)
CID 87695022
2-aminobutanedioic acid;carbamic acid
CID 87364941
bis((2S,3S)-2-amino-3-methylpentanoic acid);(2S)-2,4-diamino-4-oxobutanoic acid
CID 87666554
2-amino-3-hydroxybutanoic acid;2-amino-3-methylbutanoic acid;2,4-diamino-4-oxobutanoic acid
CID 138556645

Frequently Asked Questions

What is the IUPAC name of bis(2,4-diamino-4-oxobutanoic acid);palladium?
The IUPAC name of bis(2,4-diamino-4-oxobutanoic acid);palladium (CID 3531876) is bis(2,4-diamino-4-oxobutanoic acid);palladium.
What is the SMILES notation for bis(2,4-diamino-4-oxobutanoic acid);palladium?
The canonical SMILES for bis(2,4-diamino-4-oxobutanoic acid);palladium is NC(=O)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.[Pd].
What is the InChIKey of bis(2,4-diamino-4-oxobutanoic acid);palladium?
The InChIKey is KSYVGGOFRATTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8N2O3.Pd/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H2,6,7)(H,8,9);.
What are the key properties of bis(2,4-diamino-4-oxobutanoic acid);palladium?
bis(2,4-diamino-4-oxobutanoic acid);palladium has a molecular weight of 370.66 g/mol, XLogP of -3.46, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-diamino-4-oxobutanoic acid);palladium is sourced from PubChem (CID 3531876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).