lithium 2-[methyl(oct-7-enoyl)amino]acetate

C11H18LiNO3 — CID 102117359

IUPAClithium 2-[methyl(oct-7-enoyl)amino]acetate
SMILESC=CCCCCCC(=O)N(C)CC(=O)[O-].[Li+]
InChIInChI=1S/C11H19NO3.Li/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15;/h3H,1,4-9H2,2H3,(H,14,15);/q;+1/p-1
InChIKeyBPMUBGFVVCECFC-UHFFFAOYSA-M
MW219.21 g/mol
LogP-2.66
Rot. Bonds8

About lithium 2-[methyl(oct-7-enoyl)amino]acetate

lithium 2-[methyl(oct-7-enoyl)amino]acetate (PubChem CID 102117359) has the molecular formula C11H18LiNO3 and a molecular weight of 219.21 g/mol. Its IUPAC name is lithium 2-[methyl(oct-7-enoyl)amino]acetate.

Molecular Properties

Compound Namelithium 2-[methyl(oct-7-enoyl)amino]acetate
PubChem CID102117359
Molecular FormulaC11H18LiNO3
Molecular Weight219.21 g/mol
Exact Mass219.14
IUPAC Namelithium 2-[methyl(oct-7-enoyl)amino]acetate
SMILESC=CCCCCCC(=O)N(C)CC(=O)[O-].[Li+]
InChIInChI=1S/C11H19NO3.Li/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15;/h3H,1,4-9H2,2H3,(H,14,15);/q;+1/p-1
InChIKeyBPMUBGFVVCECFC-UHFFFAOYSA-M
XLogP-2.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[methyl(oct-7-enoyl)amino]acetate?
The IUPAC name of lithium 2-[methyl(oct-7-enoyl)amino]acetate (CID 102117359) is lithium 2-[methyl(oct-7-enoyl)amino]acetate.
What is the SMILES notation for lithium 2-[methyl(oct-7-enoyl)amino]acetate?
The canonical SMILES for lithium 2-[methyl(oct-7-enoyl)amino]acetate is C=CCCCCCC(=O)N(C)CC(=O)[O-].[Li+].
What is the InChIKey of lithium 2-[methyl(oct-7-enoyl)amino]acetate?
The InChIKey is BPMUBGFVVCECFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19NO3.Li/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15;/h3H,1,4-9H2,2H3,(H,14,15);/q;+1/p-1.
What are the key properties of lithium 2-[methyl(oct-7-enoyl)amino]acetate?
lithium 2-[methyl(oct-7-enoyl)amino]acetate has a molecular weight of 219.21 g/mol, XLogP of -2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[methyl(oct-7-enoyl)amino]acetate is sourced from PubChem (CID 102117359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).