lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate

C11H21LiN2O3 — CID 101284218

IUPAClithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate
SMILESCCCC/C([O-])=C/NCCNCCC(=O)O.[Li+]
InChIInChI=1S/C11H22N2O3.Li/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h9,12-14H,2-8H2,1H3,(H,15,16);/q;+1/p-1/b10-9-;
InChIKeyQMOQKVASIJBKET-KVVVOXFISA-M
MW236.24 g/mol
LogP-2.96
Rot. Bonds10

About lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate

lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate (PubChem CID 101284218) has the molecular formula C11H21LiN2O3 and a molecular weight of 236.24 g/mol. Its IUPAC name is lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate.

Molecular Properties

Compound Namelithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate
PubChem CID101284218
Molecular FormulaC11H21LiN2O3
Molecular Weight236.24 g/mol
Exact Mass236.17
IUPAC Namelithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate
SMILESCCCC/C([O-])=C/NCCNCCC(=O)O.[Li+]
InChIInChI=1S/C11H22N2O3.Li/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h9,12-14H,2-8H2,1H3,(H,15,16);/q;+1/p-1/b10-9-;
InChIKeyQMOQKVASIJBKET-KVVVOXFISA-M
XLogP-2.96
TPSA84.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-2.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate?
The IUPAC name of lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate (CID 101284218) is lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate.
What is the SMILES notation for lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate?
The canonical SMILES for lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate is CCCC/C([O-])=C/NCCNCCC(=O)O.[Li+].
What is the InChIKey of lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate?
The InChIKey is QMOQKVASIJBKET-KVVVOXFISA-M. The full InChI is InChI=1S/C11H22N2O3.Li/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h9,12-14H,2-8H2,1H3,(H,15,16);/q;+1/p-1/b10-9-;.
What are the key properties of lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate?
lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate has a molecular weight of 236.24 g/mol, XLogP of -2.96, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-1-[2-(2-carboxyethylamino)ethylamino]hex-1-en-2-olate is sourced from PubChem (CID 101284218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).