lithium 2-aminohexanoate

C6H12LiNO2 — CID 162134290

IUPAClithium 2-aminohexanoate
SMILESCCCCC(N)C(=O)[O-].[Li+]
InChIInChI=1S/C6H13NO2.Li/c1-2-3-4-5(7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyZJBJDLRTFWVXER-UHFFFAOYSA-M
MW137.11 g/mol
LogP-3.74
Rot. Bonds4

About lithium 2-aminohexanoate

lithium 2-aminohexanoate (PubChem CID 162134290) has the molecular formula C6H12LiNO2 and a molecular weight of 137.11 g/mol. Its IUPAC name is lithium 2-aminohexanoate.

Molecular Properties

Compound Namelithium 2-aminohexanoate
PubChem CID162134290
Molecular FormulaC6H12LiNO2
Molecular Weight137.11 g/mol
Exact Mass137.10
IUPAC Namelithium 2-aminohexanoate
SMILESCCCCC(N)C(=O)[O-].[Li+]
InChIInChI=1S/C6H13NO2.Li/c1-2-3-4-5(7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyZJBJDLRTFWVXER-UHFFFAOYSA-M
XLogP-3.74
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 5-3.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(butylamino)pentanoate
CID 162200329
lithium (2S)-2,6-diaminohexanoate
CID 87930747
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-aminohexanedioate
CID 5460399
(2S)-2,6-diaminohexanoate;trimethyl(octadecyl)azanium
CID 162716509
(2S)-2,6-diaminohexanoate;dodecyl(trimethyl)azanium
CID 171776239
disodium;2-aminopentanedioate;dodecan-1-ol
CID 174776149
calcium (2S)-2-aminohexanedioate
CID 141363631
methyl (2S)-2-aminohexanoate
CID 7018840
bis(2,6-diaminohexanoate);nickel(2+)
CID 175523935
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
dipotassium bis((2S)-2,6-diaminohexanoate)
CID 142684658

Frequently Asked Questions

What is the IUPAC name of lithium 2-aminohexanoate?
The IUPAC name of lithium 2-aminohexanoate (CID 162134290) is lithium 2-aminohexanoate.
What is the SMILES notation for lithium 2-aminohexanoate?
The canonical SMILES for lithium 2-aminohexanoate is CCCCC(N)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-aminohexanoate?
The InChIKey is ZJBJDLRTFWVXER-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2.Li/c1-2-3-4-5(7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 2-aminohexanoate?
lithium 2-aminohexanoate has a molecular weight of 137.11 g/mol, XLogP of -3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-aminohexanoate is sourced from PubChem (CID 162134290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).