CID 21127296

C8H10N2O8Pb-4 — CID 21127296

IUPAC—
SMILESNC(CC(=O)[O-])C(=O)[O-].NC(CC(=O)[O-])C(=O)[O-].[Pb]
InChIInChI=1S/2C4H7NO4.Pb/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/p-4
InChIKeyVTBXFGQEBJUHNB-UHFFFAOYSA-J
MW469.37 g/mol
LogP-7.97
Rot. Bonds6

About CID 21127296

CID 21127296 (PubChem CID 21127296) has the molecular formula C8H10N2O8Pb-4 and a molecular weight of 469.37 g/mol.

Molecular Properties

Compound NameCID 21127296
PubChem CID21127296
Molecular FormulaC8H10N2O8Pb-4
Molecular Weight469.37 g/mol
Exact Mass470.02
IUPAC Name—
SMILESNC(CC(=O)[O-])C(=O)[O-].NC(CC(=O)[O-])C(=O)[O-].[Pb]
InChIInChI=1S/2C4H7NO4.Pb/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/p-4
InChIKeyVTBXFGQEBJUHNB-UHFFFAOYSA-J
XLogP-7.97
TPSA212.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 5-7.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-aminobutanedioate
CID 4519554
(2S)-2-aminobutanedioate;silver
CID 87272123
disodium;2-aminobutanedioate
CID 172873588
dicesium;(2S)-2-aminobutanedioate
CID 11639845
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404
calcium;(2S)-2-aminobutanedioate;trihydrate
CID 139890017

Frequently Asked Questions

What is the IUPAC name of CID 21127296?
The IUPAC name of CID 21127296 (CID 21127296) is not available.
What is the SMILES notation for CID 21127296?
The canonical SMILES for CID 21127296 is NC(CC(=O)[O-])C(=O)[O-].NC(CC(=O)[O-])C(=O)[O-].[Pb].
What is the InChIKey of CID 21127296?
The InChIKey is VTBXFGQEBJUHNB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C4H7NO4.Pb/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/p-4.
What are the key properties of CID 21127296?
CID 21127296 has a molecular weight of 469.37 g/mol, XLogP of -7.97, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21127296 is sourced from PubChem (CID 21127296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).