6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid

C11H21NO5 — CID 82329589

IUPAC6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(CCO)CCC(=O)O
InChIInChI=1S/C11H21NO5/c13-9-8-12(7-5-11(16)17)6-3-1-2-4-10(14)15/h13H,1-9H2,(H,14,15)(H,16,17)
InChIKeyADGGQSWGOIYBNS-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.40
Rot. Bonds11

About 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid

6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid (PubChem CID 82329589) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
PubChem CID82329589
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
SMILESO=C(O)CCCCCN(CCO)CCC(=O)O
InChIInChI=1S/C11H21NO5/c13-9-8-12(7-5-11(16)17)6-3-1-2-4-10(14)15/h13H,1-9H2,(H,14,15)(H,16,17)
InChIKeyADGGQSWGOIYBNS-UHFFFAOYSA-N
XLogP0.40
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.40
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

6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
CID 82330595
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
bis(2-(diethylamino)ethanol);hexanedioic acid
CID 22571154
3-(dioctadecylamino)propanoic acid
CID 101313756
4-[bis(2-hydroxyethyl)amino]-3-oxobutanoic acid;hexanedioic acid
CID 88750767

Frequently Asked Questions

What is the IUPAC name of 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid?
The IUPAC name of 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid (CID 82329589) is 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid.
What is the SMILES notation for 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid?
The canonical SMILES for 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid is O=C(O)CCCCCN(CCO)CCC(=O)O.
What is the InChIKey of 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid?
The InChIKey is ADGGQSWGOIYBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c13-9-8-12(7-5-11(16)17)6-3-1-2-4-10(14)15/h13H,1-9H2,(H,14,15)(H,16,17).
What are the key properties of 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid?
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.40, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid is sourced from PubChem (CID 82329589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).