dilithium;hydride;4-(methylamino)butanoic acid

C5H13Li2NO2 — CID 173352430

IUPACdilithium;hydride;4-(methylamino)butanoic acid
SMILESCNCCCC(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C5H11NO2.2Li.2H/c1-6-4-2-3-5(7)8;;;;/h6H,2-4H2,1H3,(H,7,8);;;;/q;2*+1;2*-1
InChIKeyZBJYDZXYKXOXOC-UHFFFAOYSA-N
MW133.05 g/mol
LogP-5.70
Rot. Bonds4

About dilithium;hydride;4-(methylamino)butanoic acid

dilithium;hydride;4-(methylamino)butanoic acid (PubChem CID 173352430) has the molecular formula C5H13Li2NO2 and a molecular weight of 133.05 g/mol. Its IUPAC name is dilithium;hydride;4-(methylamino)butanoic acid.

Molecular Properties

Compound Namedilithium;hydride;4-(methylamino)butanoic acid
PubChem CID173352430
Molecular FormulaC5H13Li2NO2
Molecular Weight133.05 g/mol
Exact Mass133.13
IUPAC Namedilithium;hydride;4-(methylamino)butanoic acid
SMILESCNCCCC(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C5H11NO2.2Li.2H/c1-6-4-2-3-5(7)8;;;;/h6H,2-4H2,1H3,(H,7,8);;;;/q;2*+1;2*-1
InChIKeyZBJYDZXYKXOXOC-UHFFFAOYSA-N
XLogP-5.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.05
LogP ≤ 5-5.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
ethane;4-(methylamino)butanoic acid;toluene
CID 153336704
4-(methylamino)butanoic acid;2-methylpent-2-enoic acid
CID 173090742
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276

Frequently Asked Questions

What is the IUPAC name of dilithium;hydride;4-(methylamino)butanoic acid?
The IUPAC name of dilithium;hydride;4-(methylamino)butanoic acid (CID 173352430) is dilithium;hydride;4-(methylamino)butanoic acid.
What is the SMILES notation for dilithium;hydride;4-(methylamino)butanoic acid?
The canonical SMILES for dilithium;hydride;4-(methylamino)butanoic acid is CNCCCC(=O)O.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;hydride;4-(methylamino)butanoic acid?
The InChIKey is ZBJYDZXYKXOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.2Li.2H/c1-6-4-2-3-5(7)8;;;;/h6H,2-4H2,1H3,(H,7,8);;;;/q;2*+1;2*-1.
What are the key properties of dilithium;hydride;4-(methylamino)butanoic acid?
dilithium;hydride;4-(methylamino)butanoic acid has a molecular weight of 133.05 g/mol, XLogP of -5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydride;4-(methylamino)butanoic acid is sourced from PubChem (CID 173352430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).