potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate

C11H21KN2O3 — CID 101284202

IUPACpotassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
SMILESC=CCCC(O)CNCCNCCC(=O)[O-].[K+]
InChIInChI=1S/C11H22N2O3.K/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h2,10,12-14H,1,3-9H2,(H,15,16);/q;+1/p-1
InChIKeyDSWAQDBCTLYWIS-UHFFFAOYSA-M
MW268.40 g/mol
LogP-4.36
Rot. Bonds11

About potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate

potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate (PubChem CID 101284202) has the molecular formula C11H21KN2O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate.

Molecular Properties

Compound Namepotassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
PubChem CID101284202
Molecular FormulaC11H21KN2O3
Molecular Weight268.40 g/mol
Exact Mass268.12
IUPAC Namepotassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
SMILESC=CCCC(O)CNCCNCCC(=O)[O-].[K+]
InChIInChI=1S/C11H22N2O3.K/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h2,10,12-14H,1,3-9H2,(H,15,16);/q;+1/p-1
InChIKeyDSWAQDBCTLYWIS-UHFFFAOYSA-M
XLogP-4.36
TPSA84.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
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

3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid
CID 101284182
lithium 3-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoate
CID 101284291
sodium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhex-5-enylamino)ethyl]amino]propanoate
CID 101284083
potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate
CID 101284168
lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284217
potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
CID 101283982
potassium 3-[2-[[(E)-2-hydroxyhept-4-enyl]amino]ethylamino]propanoate
CID 101284266
potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate
CID 101284262
calcium bis(3-[2-[[(E)-2-hydroxyhex-4-enyl]amino]ethylamino]propanoate)
CID 101284211
trisodium;3-[2-carboxylatoethyl-[2-[2-carboxylatoethyl(2-hydroxyhex-5-enyl)amino]ethyl]amino]propanoate
CID 101285137
sodium 3-[(3-oxo-3-prop-2-enoxypropyl)amino]propanoate
CID 118390139
3-(but-3-enylamino)propane-1,2-diol
CID 66175706

Frequently Asked Questions

What is the IUPAC name of potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
The IUPAC name of potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate (CID 101284202) is potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate.
What is the SMILES notation for potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
The canonical SMILES for potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate is C=CCCC(O)CNCCNCCC(=O)[O-].[K+].
What is the InChIKey of potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
The InChIKey is DSWAQDBCTLYWIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22N2O3.K/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h2,10,12-14H,1,3-9H2,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate?
potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate has a molecular weight of 268.40 g/mol, XLogP of -4.36, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate is sourced from PubChem (CID 101284202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).