4-(dimethylamino)but-2-ynoic acid lithium hydride

C6H9LiNO2 — CID 171035063

IUPAC—
SMILESCN(C)CC#CC(=O)O.[Li]
InChIInChI=1S/C6H9NO2.Li/c1-7(2)5-3-4-6(8)9;/h5H2,1-2H3,(H,8,9);
InChIKeyUDCUFAWUVZPKPJ-UHFFFAOYSA-N
MW134.08 g/mol
LogP-0.74
Rot. Bonds1

About 4-(dimethylamino)but-2-ynoic acid lithium hydride

4-(dimethylamino)but-2-ynoic acid lithium hydride (PubChem CID 171035063) has the molecular formula C6H9LiNO2 and a molecular weight of 134.08 g/mol.

Molecular Properties

Compound Name4-(dimethylamino)but-2-ynoic acid lithium hydride
PubChem CID171035063
Molecular FormulaC6H9LiNO2
Molecular Weight134.08 g/mol
Exact Mass134.08
IUPAC Name—
SMILESCN(C)CC#CC(=O)O.[Li]
InChIInChI=1S/C6H9NO2.Li/c1-7(2)5-3-4-6(8)9;/h5H2,1-2H3,(H,8,9);
InChIKeyUDCUFAWUVZPKPJ-UHFFFAOYSA-N
XLogP-0.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.08
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)but-2-ynoic acid lithium hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)pent-3-yn-2-one
CID 129178345
5-(dimethylamino)pent-3-ynoic acid
CID 105428205
4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]but-2-ynamide
CID 130978657
4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide
CID 170208828
7-(dimethylamino)-3-methylhept-5-yn-2-one
CID 15685978
(2S)-2-[4-(dimethylamino)but-2-ynoyl-methylamino]propanoic acid;2,2,2-trifluoroacetaldehyde
CID 175868877
5-methoxypent-2-ynoic acid
CID 55302740
4-[(2-methylpropan-2-yl)oxy]but-2-ynoic acid
CID 112604298
N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide
CID 14025467
5-silylpent-2-ynoic acid
CID 150837243
potassium but-2-ynedioic acid
CID 18763942
4-(4-bromoanilino)but-2-ynoic acid
CID 115047197

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)but-2-ynoic acid lithium hydride?
The IUPAC name of 4-(dimethylamino)but-2-ynoic acid lithium hydride (CID 171035063) is not available.
What is the SMILES notation for 4-(dimethylamino)but-2-ynoic acid lithium hydride?
The canonical SMILES for 4-(dimethylamino)but-2-ynoic acid lithium hydride is CN(C)CC#CC(=O)O.[Li].
What is the InChIKey of 4-(dimethylamino)but-2-ynoic acid lithium hydride?
The InChIKey is UDCUFAWUVZPKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.Li/c1-7(2)5-3-4-6(8)9;/h5H2,1-2H3,(H,8,9);.
What are the key properties of 4-(dimethylamino)but-2-ynoic acid lithium hydride?
4-(dimethylamino)but-2-ynoic acid lithium hydride has a molecular weight of 134.08 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)but-2-ynoic acid lithium hydride is sourced from PubChem (CID 171035063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).