lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate

C11H21LiN2O3 — CID 101284217

IUPAClithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
SMILESC=CCCC(O)CNCCNC(C)C(=O)[O-].[Li+]
InChIInChI=1S/C11H22N2O3.Li/c1-3-4-5-10(14)8-12-6-7-13-9(2)11(15)16;/h3,9-10,12-14H,1,4-8H2,2H3,(H,15,16);/q;+1/p-1
InChIKeyGIMXBSCEXZLMFR-UHFFFAOYSA-M
MW236.24 g/mol
LogP-4.36
Rot. Bonds10

About lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate

lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate (PubChem CID 101284217) has the molecular formula C11H21LiN2O3 and a molecular weight of 236.24 g/mol. Its IUPAC name is lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate.

Molecular Properties

Compound Namelithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
PubChem CID101284217
Molecular FormulaC11H21LiN2O3
Molecular Weight236.24 g/mol
Exact Mass236.17
IUPAC Namelithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
SMILESC=CCCC(O)CNCCNC(C)C(=O)[O-].[Li+]
InChIInChI=1S/C11H22N2O3.Li/c1-3-4-5-10(14)8-12-6-7-13-9(2)11(15)16;/h3,9-10,12-14H,1,4-8H2,2H3,(H,15,16);/q;+1/p-1
InChIKeyGIMXBSCEXZLMFR-UHFFFAOYSA-M
XLogP-4.36
TPSA84.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-4.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate
CID 101284262
potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284202
3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid
CID 101284182
calcium bis(2-[2-[[(E)-2-hydroxyhex-4-enyl]amino]ethylamino]propanoate)
CID 101284206
2-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoic acid
CID 101284237
sodium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhex-5-enylamino)ethyl]amino]propanoate
CID 101284083
lithium 3-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoate
CID 101284291
potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
CID 101283982
2-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoic acid
CID 101283957
sodium (2S)-2-(2,2-dihydroxyethylamino)propanoate
CID 141052836
ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
CID 90216301
3-(but-3-enylamino)propane-1,2-diol
CID 66175706

Frequently Asked Questions

What is the IUPAC name of lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
The IUPAC name of lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate (CID 101284217) is lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate.
What is the SMILES notation for lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
The canonical SMILES for lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate is C=CCCC(O)CNCCNC(C)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
The InChIKey is GIMXBSCEXZLMFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22N2O3.Li/c1-3-4-5-10(14)8-12-6-7-13-9(2)11(15)16;/h3,9-10,12-14H,1,4-8H2,2H3,(H,15,16);/q;+1/p-1.
What are the key properties of lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate has a molecular weight of 236.24 g/mol, XLogP of -4.36, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate is sourced from PubChem (CID 101284217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).