2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate

C11H24N2O4 — CID 162501240

IUPAC2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate
SMILESCOCCOCCOC(=O)C(N)CCCCN
InChIInChI=1S/C11H24N2O4/c1-15-6-7-16-8-9-17-11(14)10(13)4-2-3-5-12/h10H,2-9,12-13H2,1H3
InChIKeyTWOLCCVVNXBYRV-UHFFFAOYSA-N
MW248.32 g/mol
LogP-0.35
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate

2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate (PubChem CID 162501240) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate
PubChem CID162501240
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate
SMILESCOCCOCCOC(=O)C(N)CCCCN
InChIInChI=1S/C11H24N2O4/c1-15-6-7-16-8-9-17-11(14)10(13)4-2-3-5-12/h10H,2-9,12-13H2,1H3
InChIKeyTWOLCCVVNXBYRV-UHFFFAOYSA-N
XLogP-0.35
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
12-aminododecyl (2S)-2,6-diaminohexanoate
CID 175019301
3-methylbutyl 2,6-diaminohexanoate
CID 142497422
octadecyl (2R)-2,6-diaminohexanoate
CID 98551343
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
nonadecyl (2S)-2,6-diaminohexanoate
CID 54272011
butyl 2,7-diaminoheptanoate;hydrochloride
CID 87990912
3-(2-methoxyethoxy)propyl (2R)-2-amino-4-hydroxybutanoate
CID 107825441
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
octyl (2S)-2,6-diaminohexanoate;dihydrochloride
CID 157427819

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate (CID 162501240) is 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate is COCCOCCOC(=O)C(N)CCCCN.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate?
The InChIKey is TWOLCCVVNXBYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-15-6-7-16-8-9-17-11(14)10(13)4-2-3-5-12/h10H,2-9,12-13H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate?
2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate has a molecular weight of 248.32 g/mol, XLogP of -0.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate is sourced from PubChem (CID 162501240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).