potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate

C17H33KN2O4 — CID 101283982

IUPACpotassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
SMILESC=CCCC(O)CN(CCNCC(O)CCCC)CCC(=O)[O-].[K+]
InChIInChI=1S/C17H34N2O4.K/c1-3-5-7-15(20)13-18-10-12-19(11-9-17(22)23)14-16(21)8-6-4-2;/h4,15-16,18,20-21H,2-3,5-14H2,1H3,(H,22,23);/q;+1/p-1
InChIKeySMJHJWKKCQFBJD-UHFFFAOYSA-M
MW368.56 g/mol
LogP-3.10
Rot. Bonds16

About potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate

potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate (PubChem CID 101283982) has the molecular formula C17H33KN2O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate.

Molecular Properties

Compound Namepotassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
PubChem CID101283982
Molecular FormulaC17H33KN2O4
Molecular Weight368.56 g/mol
Exact Mass368.21
IUPAC Namepotassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
SMILESC=CCCC(O)CN(CCNCC(O)CCCC)CCC(=O)[O-].[K+]
InChIInChI=1S/C17H34N2O4.K/c1-3-5-7-15(20)13-18-10-12-19(11-9-17(22)23)14-16(21)8-6-4-2;/h4,15-16,18,20-21H,2-3,5-14H2,1H3,(H,22,23);/q;+1/p-1
InChIKeySMJHJWKKCQFBJD-UHFFFAOYSA-M
XLogP-3.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 5-3.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhex-5-enylamino)ethyl]amino]propanoate
CID 101284083
trisodium;3-[2-carboxylatoethyl-[2-[2-carboxylatoethyl(2-hydroxyhex-5-enyl)amino]ethyl]amino]propanoate
CID 101285137
2-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoic acid
CID 101283957
potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284202
potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate
CID 101284168
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997
1-[2-[2-(2-hydroxydecylamino)ethyl-[2-(2-hydroxydodecylamino)ethyl]amino]ethylamino]dodecan-2-ol
CID 162485170
potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate
CID 101284262
sodium (Z)-1-[2-carboxyethyl-[2-(2-hydroxyhexylamino)ethyl]amino]hex-1-en-2-olate
CID 101283988
lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284217
6-hydroxy-7-[4-[[2-hydroxy-3-[[3-[[(E)-octadec-9-enyl]amino]-3-oxopropyl]amino]propyl]-tetradecylamino]butyl-tetradecylamino]-N-[(E)-octadec-9-enyl]heptanamide
CID 160647766
1-[2-[2-[2-[ethyl-[2-(2-hydroxydodecylamino)ethyl]amino]ethylamino]ethyl-(3-hydroxytridecyl)amino]ethyl-(2-hydroxydodecyl)amino]tridecan-2-ol
CID 167218584

Frequently Asked Questions

What is the IUPAC name of potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate?
The IUPAC name of potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate (CID 101283982) is potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate.
What is the SMILES notation for potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate?
The canonical SMILES for potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate is C=CCCC(O)CN(CCNCC(O)CCCC)CCC(=O)[O-].[K+].
What is the InChIKey of potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate?
The InChIKey is SMJHJWKKCQFBJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H34N2O4.K/c1-3-5-7-15(20)13-18-10-12-19(11-9-17(22)23)14-16(21)8-6-4-2;/h4,15-16,18,20-21H,2-3,5-14H2,1H3,(H,22,23);/q;+1/p-1.
What are the key properties of potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate?
potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate has a molecular weight of 368.56 g/mol, XLogP of -3.10, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate is sourced from PubChem (CID 101283982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).