(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium

C5H9NO4Pd — CID 87358992

IUPAC(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
SMILESCOC(=O)C[C@H](N)C(=O)O.[Pd]
InChIInChI=1S/C5H9NO4.Pd/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);/t3-;/m0./s1
InChIKeyVRMVLBLQGUYJSK-DFWYDOINSA-N
MW253.55 g/mol
LogP-1.04
Rot. Bonds3

About (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium

(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium (PubChem CID 87358992) has the molecular formula C5H9NO4Pd and a molecular weight of 253.55 g/mol. Its IUPAC name is (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium.

Molecular Properties

Compound Name(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
PubChem CID87358992
Molecular FormulaC5H9NO4Pd
Molecular Weight253.55 g/mol
Exact Mass252.96
IUPAC Name(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
SMILESCOC(=O)C[C@H](N)C(=O)O.[Pd]
InChIInChI=1S/C5H9NO4.Pd/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);/t3-;/m0./s1
InChIKeyVRMVLBLQGUYJSK-DFWYDOINSA-N
XLogP-1.04
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.55
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (2R)-2-aminobutanedioate
CID 6994535
CID 59945611
CID 59945611
(2S)-4-acetyloxy-2-amino-4-oxobutanoic acid
CID 57315481
(2S)-2-amino-4-oxo-4-(3-oxobutanoyloxy)butanoic acid
CID 174779191
2-amino-3-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]propanoic acid
CID 129078601
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
2-amino-6-ethoxy-4,6-dioxohexanoic acid
CID 58922019

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium?
The IUPAC name of (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium (CID 87358992) is (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium.
What is the SMILES notation for (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium?
The canonical SMILES for (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium is COC(=O)C[C@H](N)C(=O)O.[Pd].
What is the InChIKey of (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium?
The InChIKey is VRMVLBLQGUYJSK-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.Pd/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);/t3-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium?
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium has a molecular weight of 253.55 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium is sourced from PubChem (CID 87358992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).