methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate

C15H24N2O10 — CID 59682490

IUPACmethyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate
SMILESCOC(=O)C(CCCCNC(=O)COC(=O)CO)NC(=O)COC(=O)CO
InChIInChI=1S/C15H24N2O10/c1-25-15(24)10(17-12(21)9-27-14(23)7-19)4-2-3-5-16-11(20)8-26-13(22)6-18/h10,18-19H,2-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyHTOIJZUUFRHAGR-UHFFFAOYSA-N
MW392.36 g/mol
LogP-3.00
Rot. Bonds13

About methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate

methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate (PubChem CID 59682490) has the molecular formula C15H24N2O10 and a molecular weight of 392.36 g/mol. Its IUPAC name is methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate
PubChem CID59682490
Molecular FormulaC15H24N2O10
Molecular Weight392.36 g/mol
Exact Mass392.14
IUPAC Namemethyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate
SMILESCOC(=O)C(CCCCNC(=O)COC(=O)CO)NC(=O)COC(=O)CO
InChIInChI=1S/C15H24N2O10/c1-25-15(24)10(17-12(21)9-27-14(23)7-19)4-2-3-5-16-11(20)8-26-13(22)6-18/h10,18-19H,2-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyHTOIJZUUFRHAGR-UHFFFAOYSA-N
XLogP-3.00
TPSA177.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 5-3.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate?
The IUPAC name of methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate (CID 59682490) is methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate.
What is the SMILES notation for methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate?
The canonical SMILES for methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate is COC(=O)C(CCCCNC(=O)COC(=O)CO)NC(=O)COC(=O)CO.
What is the InChIKey of methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate?
The InChIKey is HTOIJZUUFRHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O10/c1-25-15(24)10(17-12(21)9-27-14(23)7-19)4-2-3-5-16-11(20)8-26-13(22)6-18/h10,18-19H,2-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate?
methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate has a molecular weight of 392.36 g/mol, XLogP of -3.00, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-bis[[2-(2-hydroxyacetyl)oxyacetyl]amino]hexanoate is sourced from PubChem (CID 59682490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).