tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate

C12H12Li4N2O10 — CID 162517555

IUPACtetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate
SMILESO=C([O-])CC[C@H](NC(=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C12H16N2O10.4Li/c15-7(16)3-1-5(11(21)22)13-9(19)10(20)14-6(12(23)24)2-4-8(17)18;;;;/h5-6H,1-4H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)(H,23,24);;;;/q;4*+1/p-4/t5-,6-;;;;/m0..../s1
InChIKeyPZOGNJVQPPISBA-UKVIHGRNSA-J
MW372.00 g/mol
LogP-19.47
Rot. Bonds10

About tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate

tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate (PubChem CID 162517555) has the molecular formula C12H12Li4N2O10 and a molecular weight of 372.00 g/mol. Its IUPAC name is tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate.

Molecular Properties

Compound Nametetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate
PubChem CID162517555
Molecular FormulaC12H12Li4N2O10
Molecular Weight372.00 g/mol
Exact Mass372.11
IUPAC Nametetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate
SMILESO=C([O-])CC[C@H](NC(=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C12H16N2O10.4Li/c15-7(16)3-1-5(11(21)22)13-9(19)10(20)14-6(12(23)24)2-4-8(17)18;;;;/h5-6H,1-4H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)(H,23,24);;;;/q;4*+1/p-4/t5-,6-;;;;/m0..../s1
InChIKeyPZOGNJVQPPISBA-UKVIHGRNSA-J
XLogP-19.47
TPSA218.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.00
LogP ≤ 5-19.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate with MolForge

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Related Compounds

disodium;2-acetamidopentanedioate
CID 18539436
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
disodium;(2S)-2-(3-sulfanylpropanoylamino)pentanedioate
CID 86593470
disodium;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 102136496
2-[(2-phenylacetyl)amino]pentanedioate
CID 19350015
(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate
CID 102516015
diazanium;(2S)-2-(dicarboxymethylamino)pentanedioate
CID 87560114
potassium;(2S)-2-(dodecanoylamino)pentanedioate;hydron
CID 71587285
3-[[(2S)-4-carboxylato-1-[[(1S)-1,3-dicarboxylatopropyl]amino]-1-oxobutan-2-yl]carbamoyl]-3-hydroxypentanedioate
CID 155802543
calcium;hydride;(2S)-2-(octadecanoylamino)pentanedioate
CID 139597136
calcium bis((2S)-5-hydroxy-2-(2-methylprop-2-enoylamino)-5-oxopentanoate)
CID 122611053

Frequently Asked Questions

What is the IUPAC name of tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate?
The IUPAC name of tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate (CID 162517555) is tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate.
What is the SMILES notation for tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate?
The canonical SMILES for tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate is O=C([O-])CC[C@H](NC(=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate?
The InChIKey is PZOGNJVQPPISBA-UKVIHGRNSA-J. The full InChI is InChI=1S/C12H16N2O10.4Li/c15-7(16)3-1-5(11(21)22)13-9(19)10(20)14-6(12(23)24)2-4-8(17)18;;;;/h5-6H,1-4H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)(H,23,24);;;;/q;4*+1/p-4/t5-,6-;;;;/m0..../s1.
What are the key properties of tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate?
tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate has a molecular weight of 372.00 g/mol, XLogP of -19.47, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate is sourced from PubChem (CID 162517555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).