3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid

C11H22N2O3 — CID 101284182

IUPAC3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid
SMILESC=CCCC(O)CNCCNCCC(=O)O
InChIInChI=1S/C11H22N2O3/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)
InChIKeyYTJBXFVKEYERDQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.03
Rot. Bonds11

About 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid

3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid (PubChem CID 101284182) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid
PubChem CID101284182
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid
SMILESC=CCCC(O)CNCCNCCC(=O)O
InChIInChI=1S/C11H22N2O3/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)
InChIKeyYTJBXFVKEYERDQ-UHFFFAOYSA-N
XLogP-0.03
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

potassium 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284202
lithium 2-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoate
CID 101284217
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
sodium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhex-5-enylamino)ethyl]amino]propanoate
CID 101284083
lithium 3-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoate
CID 101284291
4-hydroxydodec-11-enoic acid
CID 139805445
2-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoic acid
CID 101283957
potassium 2-[2-(2-hydroxyhept-6-enylamino)ethylamino]propanoate
CID 101284262
(5R)-5-hydroxydec-9-enoic acid
CID 97184595
(7E)-4-hydroxyundeca-7,10-dienoic acid
CID 13148487
2-[2-[[(E)-2-hydroxyhept-5-enyl]amino]ethylamino]propanoic acid
CID 101284237
3-(but-3-enylamino)propane-1,2-diol
CID 66175706

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid (CID 101284182) is 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid is C=CCCC(O)CNCCNCCC(=O)O.
What is the InChIKey of 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid?
The InChIKey is YTJBXFVKEYERDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/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).
What are the key properties of 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid?
3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of -0.03, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyhex-5-enylamino)ethylamino]propanoic acid is sourced from PubChem (CID 101284182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).