bis(5-acetamido-2-carboxyphenolate);lead(2+)

C18H16N2O8Pb — CID 88836547

IUPACbis(5-acetamido-2-carboxyphenolate);lead(2+)
SMILESCC(=O)Nc1ccc(C(=O)O)c([O-])c1.CC(=O)Nc1ccc(C(=O)O)c([O-])c1.[Pb+2]
InChIInChI=1S/2C9H9NO4.Pb/c2*1-5(11)10-6-2-3-7(9(13)14)8(12)4-6;/h2*2-4,12H,1H3,(H,10,11)(H,13,14);/q;;+2/p-2
InChIKeyWLMFGBCFBDTVAS-UHFFFAOYSA-L
MW595.53 g/mol
LogP0.45
Rot. Bonds4

About bis(5-acetamido-2-carboxyphenolate);lead(2+)

bis(5-acetamido-2-carboxyphenolate);lead(2+) (PubChem CID 88836547) has the molecular formula C18H16N2O8Pb and a molecular weight of 595.53 g/mol. Its IUPAC name is bis(5-acetamido-2-carboxyphenolate);lead(2+).

Molecular Properties

Compound Namebis(5-acetamido-2-carboxyphenolate);lead(2+)
PubChem CID88836547
Molecular FormulaC18H16N2O8Pb
Molecular Weight595.53 g/mol
Exact Mass596.07
IUPAC Namebis(5-acetamido-2-carboxyphenolate);lead(2+)
SMILESCC(=O)Nc1ccc(C(=O)O)c([O-])c1.CC(=O)Nc1ccc(C(=O)O)c([O-])c1.[Pb+2]
InChIInChI=1S/2C9H9NO4.Pb/c2*1-5(11)10-6-2-3-7(9(13)14)8(12)4-6;/h2*2-4,12H,1H3,(H,10,11)(H,13,14);/q;;+2/p-2
InChIKeyWLMFGBCFBDTVAS-UHFFFAOYSA-L
XLogP0.45
TPSA178.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.53
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

calcium bis(5-benzamido-2-carboxyphenolate)
CID 54676902
5-[(4-acetyloxybenzoyl)amino]-2-carboxyphenolate
CID 54711888
4-acetamido-2-hydrazinylbenzoic acid
CID 163448849
2-carboxy-5-methylphenolate
CID 54675829
6-[(4-carboxy-3-oxidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 54704486
2-carboxy-5-[1-[(3R,5S)-5-methyl-2,4-dioxooxolan-3-yl]ethenylamino]phenolate
CID 54706473
2-carboxy-5-[1-[(3R,5R)-5-methyl-2,4-dioxooxolan-3-yl]ethenylamino]phenolate
CID 54706474
2-carboxy-5-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenolate
CID 54691364
5-[(4-tert-butylphenyl)sulfonylamino]-2-carboxyphenolate
CID 54725188
5-acetamido-2-(4-acetylpiperazin-1-yl)benzoic acid
CID 46363216
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
2-carboxy-5-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenolate
CID 54712594

Frequently Asked Questions

What is the IUPAC name of bis(5-acetamido-2-carboxyphenolate);lead(2+)?
The IUPAC name of bis(5-acetamido-2-carboxyphenolate);lead(2+) (CID 88836547) is bis(5-acetamido-2-carboxyphenolate);lead(2+).
What is the SMILES notation for bis(5-acetamido-2-carboxyphenolate);lead(2+)?
The canonical SMILES for bis(5-acetamido-2-carboxyphenolate);lead(2+) is CC(=O)Nc1ccc(C(=O)O)c([O-])c1.CC(=O)Nc1ccc(C(=O)O)c([O-])c1.[Pb+2].
What is the InChIKey of bis(5-acetamido-2-carboxyphenolate);lead(2+)?
The InChIKey is WLMFGBCFBDTVAS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H9NO4.Pb/c2*1-5(11)10-6-2-3-7(9(13)14)8(12)4-6;/h2*2-4,12H,1H3,(H,10,11)(H,13,14);/q;;+2/p-2.
What are the key properties of bis(5-acetamido-2-carboxyphenolate);lead(2+)?
bis(5-acetamido-2-carboxyphenolate);lead(2+) has a molecular weight of 595.53 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-acetamido-2-carboxyphenolate);lead(2+) is sourced from PubChem (CID 88836547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).