dilithium;2-amino-2-oxidoacetate

C2H3Li2NO3 — CID 56968278

IUPACdilithium;2-amino-2-oxidoacetate
SMILESNC([O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C2H4NO3.2Li/c3-1(4)2(5)6;;/h1H,3H2,(H,5,6);;/q-1;2*+1/p-1
InChIKeyHAPLWARNDFTJKK-UHFFFAOYSA-M
MW102.93 g/mol
LogP-9.61
Rot. Bonds1

About dilithium;2-amino-2-oxidoacetate

dilithium;2-amino-2-oxidoacetate (PubChem CID 56968278) has the molecular formula C2H3Li2NO3 and a molecular weight of 102.93 g/mol. Its IUPAC name is dilithium;2-amino-2-oxidoacetate.

Molecular Properties

Compound Namedilithium;2-amino-2-oxidoacetate
PubChem CID56968278
Molecular FormulaC2H3Li2NO3
Molecular Weight102.93 g/mol
Exact Mass103.04
IUPAC Namedilithium;2-amino-2-oxidoacetate
SMILESNC([O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C2H4NO3.2Li/c3-1(4)2(5)6;;/h1H,3H2,(H,5,6);;/q-1;2*+1/p-1
InChIKeyHAPLWARNDFTJKK-UHFFFAOYSA-M
XLogP-9.61
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.93
LogP ≤ 5-9.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopropanoate
CID 5460980
disodium;2,3-diaminobutanedioate
CID 87704477
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
potassium 2-aminopropanoate
CID 21339510
lithium carbamate
CID 23703745
2-aminopropanoate;hydron;hydrochloride
CID 173141944
calcium;bis((2S)-2-aminopropanoate);pentahydrate
CID 176654568
2-chloropropanedioate
CID 19901306
bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
CID 119081407
dilithium bis(2-methylpropanoate)
CID 86626069
dilithium;2-methylpropanedioate
CID 87066943
2-aminopropanoate;carbon dioxide
CID 160850245

Frequently Asked Questions

What is the IUPAC name of dilithium;2-amino-2-oxidoacetate?
The IUPAC name of dilithium;2-amino-2-oxidoacetate (CID 56968278) is dilithium;2-amino-2-oxidoacetate.
What is the SMILES notation for dilithium;2-amino-2-oxidoacetate?
The canonical SMILES for dilithium;2-amino-2-oxidoacetate is NC([O-])C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-amino-2-oxidoacetate?
The InChIKey is HAPLWARNDFTJKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4NO3.2Li/c3-1(4)2(5)6;;/h1H,3H2,(H,5,6);;/q-1;2*+1/p-1.
What are the key properties of dilithium;2-amino-2-oxidoacetate?
dilithium;2-amino-2-oxidoacetate has a molecular weight of 102.93 g/mol, XLogP of -9.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-amino-2-oxidoacetate is sourced from PubChem (CID 56968278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).