potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate

C12H23KN2O3 — CID 101284262

IUPACpotassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate
SMILESC=CCCCC(O)CNCCNC(C)C(=O)[O-].[K+]
InChIInChI=1S/C12H24N2O3.K/c1-3-4-5-6-11(15)9-13-7-8-14-10(2)12(16)17;/h3,10-11,13-15H,1,4-9H2,2H3,(H,16,17);/q;+1/p-1
InChIKeyNGNCBNHGBUYZDC-UHFFFAOYSA-M
MW282.43 g/mol
LogP-3.97
Rot. Bonds11

About potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate

potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate (PubChem CID 101284262) has the molecular formula C12H23KN2O3 and a molecular weight of 282.43 g/mol. Its IUPAC name is potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate.

Molecular Properties

Compound Namepotassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate
PubChem CID101284262
Molecular FormulaC12H23KN2O3
Molecular Weight282.43 g/mol
Exact Mass282.13
IUPAC Namepotassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate
SMILESC=CCCCC(O)CNCCNC(C)C(=O)[O-].[K+]
InChIInChI=1S/C12H24N2O3.K/c1-3-4-5-6-11(15)9-13-7-8-14-10(2)12(16)17;/h3,10-11,13-15H,1,4-9H2,2H3,(H,16,17);/q;+1/p-1
InChIKeyNGNCBNHGBUYZDC-UHFFFAOYSA-M
XLogP-3.97
TPSA84.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 5-3.97
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

lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284217
potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284202
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
potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
CID 101283982
3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid
CID 101284182
(2S)-2-(pent-4-enylamino)propanoic acid
CID 83194010
potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate
CID 101284168
2-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoic acid
CID 101283957
sodium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhex-5-enylamino)ethyl]amino]propanoate
CID 101284083
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
acetic acid;18-methyl-1-(3-prop-2-enoxypropylamino)nonadecan-2-ol
CID 173295975

Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate?
The IUPAC name of potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate (CID 101284262) is potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate.
What is the SMILES notation for potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate?
The canonical SMILES for potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate is C=CCCCC(O)CNCCNC(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate?
The InChIKey is NGNCBNHGBUYZDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24N2O3.K/c1-3-4-5-6-11(15)9-13-7-8-14-10(2)12(16)17;/h3,10-11,13-15H,1,4-9H2,2H3,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate?
potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate has a molecular weight of 282.43 g/mol, XLogP of -3.97, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate is sourced from PubChem (CID 101284262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).