4-amino-4-hydroxybutanoic acid;palladium

C4H9NO3Pd — CID 87204989

IUPAC4-amino-4-hydroxybutanoic acid;palladium
SMILESNC(O)CCC(=O)O.[Pd]
InChIInChI=1S/C4H9NO3.Pd/c5-3(6)1-2-4(7)8;/h3,6H,1-2,5H2,(H,7,8);
InChIKeyNHMAABGSUILALU-UHFFFAOYSA-N
MW225.54 g/mol
LogP-0.87
Rot. Bonds3

About 4-amino-4-hydroxybutanoic acid;palladium

4-amino-4-hydroxybutanoic acid;palladium (PubChem CID 87204989) has the molecular formula C4H9NO3Pd and a molecular weight of 225.54 g/mol. Its IUPAC name is 4-amino-4-hydroxybutanoic acid;palladium.

Molecular Properties

Compound Name4-amino-4-hydroxybutanoic acid;palladium
PubChem CID87204989
Molecular FormulaC4H9NO3Pd
Molecular Weight225.54 g/mol
Exact Mass224.96
IUPAC Name4-amino-4-hydroxybutanoic acid;palladium
SMILESNC(O)CCC(=O)O.[Pd]
InChIInChI=1S/C4H9NO3.Pd/c5-3(6)1-2-4(7)8;/h3,6H,1-2,5H2,(H,7,8);
InChIKeyNHMAABGSUILALU-UHFFFAOYSA-N
XLogP-0.87
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.54
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 143436801
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
potassium;2-aminopentanedioic acid;hydride
CID 173070457
2-aminopentanedioic acid
CID 611
4-amino-4-fluorobutanoic acid
CID 20508342
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
4,7,10-trihydroxytridecanedioic acid
CID 174508120
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
(2S)-2-aminopentanedioic acid;chromium
CID 87792997

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-hydroxybutanoic acid;palladium?
The IUPAC name of 4-amino-4-hydroxybutanoic acid;palladium (CID 87204989) is 4-amino-4-hydroxybutanoic acid;palladium.
What is the SMILES notation for 4-amino-4-hydroxybutanoic acid;palladium?
The canonical SMILES for 4-amino-4-hydroxybutanoic acid;palladium is NC(O)CCC(=O)O.[Pd].
What is the InChIKey of 4-amino-4-hydroxybutanoic acid;palladium?
The InChIKey is NHMAABGSUILALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.Pd/c5-3(6)1-2-4(7)8;/h3,6H,1-2,5H2,(H,7,8);.
What are the key properties of 4-amino-4-hydroxybutanoic acid;palladium?
4-amino-4-hydroxybutanoic acid;palladium has a molecular weight of 225.54 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-hydroxybutanoic acid;palladium is sourced from PubChem (CID 87204989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).