2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid

C10H21NO4 — CID 103248959

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
SMILESCCCCC(NCCOCCO)C(=O)O
InChIInChI=1S/C10H21NO4/c1-2-3-4-9(10(13)14)11-5-7-15-8-6-12/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyOKHVOJPKDQMFFD-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.23
Rot. Bonds10

About 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid

2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid (PubChem CID 103248959) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
PubChem CID103248959
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
SMILESCCCCC(NCCOCCO)C(=O)O
InChIInChI=1S/C10H21NO4/c1-2-3-4-9(10(13)14)11-5-7-15-8-6-12/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyOKHVOJPKDQMFFD-UHFFFAOYSA-N
XLogP0.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propoxyethylamino)pentanoic acid
CID 106454592
2-(2-butoxyethylamino)butanoic acid
CID 64667576
2-(dodecylamino)hexanoic acid
CID 139637216
4-hydroxy-2-(propylamino)butanoic acid;pentane-1,1-diamine
CID 174939925
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
2-[2-(3-hydroxypropylsulfanyl)ethylamino]hexanoic acid
CID 106305618
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
2-(pentylamino)octanoic acid
CID 129188286
2-(propylamino)tetradecanoic acid
CID 54527307
2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
CID 175685061

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid (CID 103248959) is 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid is CCCCC(NCCOCCO)C(=O)O.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid?
The InChIKey is OKHVOJPKDQMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-2-3-4-9(10(13)14)11-5-7-15-8-6-12/h9,11-12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid?
2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.23, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid is sourced from PubChem (CID 103248959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).