2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid

C17H32N2O4 — CID 101284045

IUPAC2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid
SMILESCCC/C=C(\O)CNCCN(C/C(O)=C/CCC)C(C)C(=O)O
InChIInChI=1S/C17H32N2O4/c1-4-6-8-15(20)12-18-10-11-19(14(3)17(22)23)13-16(21)9-7-5-2/h8-9,14,18,20-21H,4-7,10-13H2,1-3H3,(H,22,23)/b15-8-,16-9-
InChIKeyQETIKURNPYDLHM-SRKDFGFSSA-N
MW328.45 g/mol
LogP2.84
Rot. Bonds13

About 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid

2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid (PubChem CID 101284045) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid
PubChem CID101284045
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid
SMILESCCC/C=C(\O)CNCCN(C/C(O)=C/CCC)C(C)C(=O)O
InChIInChI=1S/C17H32N2O4/c1-4-6-8-15(20)12-18-10-11-19(14(3)17(22)23)13-16(21)9-7-5-2/h8-9,14,18,20-21H,4-7,10-13H2,1-3H3,(H,22,23)/b15-8-,16-9-
InChIKeyQETIKURNPYDLHM-SRKDFGFSSA-N
XLogP2.84
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid with MolForge

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Related Compounds

calcium;2-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl-(2-hydroxyhexyl)amino]propanoic acid;2-[2-hydroxyhexyl-[2-[[(Z)-2-oxidohex-2-enyl]amino]ethyl]amino]propanoate
CID 101284034
sodium (Z)-1-[2-[2-carboxyethyl-[(Z)-2-hydroxyhex-2-enyl]amino]ethylamino]hex-2-en-2-olate
CID 101284080
2-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoic acid
CID 101283957
2-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
3-hydroxyhept-3-enoic acid
CID 173143432
(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686
2-[2-hydroxypropyl-[2-(octanoylamino)ethyl]amino]propanoic acid
CID 101286107
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid?
The IUPAC name of 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid (CID 101284045) is 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid?
The canonical SMILES for 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid is CCC/C=C(\O)CNCCN(C/C(O)=C/CCC)C(C)C(=O)O.
What is the InChIKey of 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid?
The InChIKey is QETIKURNPYDLHM-SRKDFGFSSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-4-6-8-15(20)12-18-10-11-19(14(3)17(22)23)13-16(21)9-7-5-2/h8-9,14,18,20-21H,4-7,10-13H2,1-3H3,(H,22,23)/b15-8-,16-9-.
What are the key properties of 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid?
2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid has a molecular weight of 328.45 g/mol, XLogP of 2.84, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-hydroxyhex-2-enyl]-[2-[[(Z)-2-hydroxyhex-2-enyl]amino]ethyl]amino]propanoic acid is sourced from PubChem (CID 101284045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).