potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate

C11H23KN2O3 — CID 101284168

IUPACpotassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate
SMILESCCCCC(O)CNCCNCCC(=O)[O-].[K+]
InChIInChI=1S/C11H24N2O3.K/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h10,12-14H,2-9H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyFKNLKUVZLULMKV-UHFFFAOYSA-M
MW270.41 g/mol
LogP-4.14
Rot. Bonds11

About potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate

potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate (PubChem CID 101284168) has the molecular formula C11H23KN2O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate.

Molecular Properties

Compound Namepotassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate
PubChem CID101284168
Molecular FormulaC11H23KN2O3
Molecular Weight270.41 g/mol
Exact Mass270.13
IUPAC Namepotassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate
SMILESCCCCC(O)CNCCNCCC(=O)[O-].[K+]
InChIInChI=1S/C11H24N2O3.K/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h10,12-14H,2-9H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyFKNLKUVZLULMKV-UHFFFAOYSA-M
XLogP-4.14
TPSA84.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 5-4.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284202
lithium 3-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoate
CID 101284291
potassium 3-[2-[[(E)-2-hydroxyhept-4-enyl]amino]ethylamino]propanoate
CID 101284266
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
CID 101283982
calcium bis(3-[2-[[(E)-2-hydroxyhex-4-enyl]amino]ethylamino]propanoate)
CID 101284211
8-hydroxydodecanoate
CID 155802527
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
butanedioic acid;1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol
CID 21332461
1-(ethylamino)hexan-2-ol
CID 54078804

Frequently Asked Questions

What is the IUPAC name of potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate?
The IUPAC name of potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate (CID 101284168) is potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate.
What is the SMILES notation for potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate?
The canonical SMILES for potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate is CCCCC(O)CNCCNCCC(=O)[O-].[K+].
What is the InChIKey of potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate?
The InChIKey is FKNLKUVZLULMKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24N2O3.K/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16;/h10,12-14H,2-9H2,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate?
potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate has a molecular weight of 270.41 g/mol, XLogP of -4.14, 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-hydroxyhexylamino)ethylamino]propanoate is sourced from PubChem (CID 101284168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).