lithium 2-(3-aminopropyl)pent-4-enoate

C8H14LiNO2 — CID 20736858

IUPAClithium 2-(3-aminopropyl)pent-4-enoate
SMILESC=CCC(CCCN)C(=O)[O-].[Li+]
InChIInChI=1S/C8H15NO2.Li/c1-2-4-7(8(10)11)5-3-6-9;/h2,7H,1,3-6,9H2,(H,10,11);/q;+1/p-1
InChIKeyXBZBGLIFRJHNJK-UHFFFAOYSA-M
MW163.15 g/mol
LogP-3.33
Rot. Bonds6

About lithium 2-(3-aminopropyl)pent-4-enoate

lithium 2-(3-aminopropyl)pent-4-enoate (PubChem CID 20736858) has the molecular formula C8H14LiNO2 and a molecular weight of 163.15 g/mol. Its IUPAC name is lithium 2-(3-aminopropyl)pent-4-enoate.

Molecular Properties

Compound Namelithium 2-(3-aminopropyl)pent-4-enoate
PubChem CID20736858
Molecular FormulaC8H14LiNO2
Molecular Weight163.15 g/mol
Exact Mass163.12
IUPAC Namelithium 2-(3-aminopropyl)pent-4-enoate
SMILESC=CCC(CCCN)C(=O)[O-].[Li+]
InChIInChI=1S/C8H15NO2.Li/c1-2-4-7(8(10)11)5-3-6-9;/h2,7H,1,3-6,9H2,(H,10,11);/q;+1/p-1
InChIKeyXBZBGLIFRJHNJK-UHFFFAOYSA-M
XLogP-3.33
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-3.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(3-aminopropyl)pent-4-enoate?
The IUPAC name of lithium 2-(3-aminopropyl)pent-4-enoate (CID 20736858) is lithium 2-(3-aminopropyl)pent-4-enoate.
What is the SMILES notation for lithium 2-(3-aminopropyl)pent-4-enoate?
The canonical SMILES for lithium 2-(3-aminopropyl)pent-4-enoate is C=CCC(CCCN)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-(3-aminopropyl)pent-4-enoate?
The InChIKey is XBZBGLIFRJHNJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO2.Li/c1-2-4-7(8(10)11)5-3-6-9;/h2,7H,1,3-6,9H2,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2-(3-aminopropyl)pent-4-enoate?
lithium 2-(3-aminopropyl)pent-4-enoate has a molecular weight of 163.15 g/mol, XLogP of -3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(3-aminopropyl)pent-4-enoate is sourced from PubChem (CID 20736858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).