methyl 11-(dimethylamino)-10-hydroxyundecanoate

C14H29NO3 — CID 3772671

IUPACmethyl 11-(dimethylamino)-10-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCC(O)CN(C)C
InChIInChI=1S/C14H29NO3/c1-15(2)12-13(16)10-8-6-4-5-7-9-11-14(17)18-3/h13,16H,4-12H2,1-3H3
InChIKeyLEODUDIDDFIJHP-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.20
Rot. Bonds11

About methyl 11-(dimethylamino)-10-hydroxyundecanoate

methyl 11-(dimethylamino)-10-hydroxyundecanoate (PubChem CID 3772671) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is methyl 11-(dimethylamino)-10-hydroxyundecanoate.

Molecular Properties

Compound Namemethyl 11-(dimethylamino)-10-hydroxyundecanoate
PubChem CID3772671
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Namemethyl 11-(dimethylamino)-10-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCC(O)CN(C)C
InChIInChI=1S/C14H29NO3/c1-15(2)12-13(16)10-8-6-4-5-7-9-11-14(17)18-3/h13,16H,4-12H2,1-3H3
InChIKeyLEODUDIDDFIJHP-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 11-(dimethylamino)-10-hydroxyundecanoate?
The IUPAC name of methyl 11-(dimethylamino)-10-hydroxyundecanoate (CID 3772671) is methyl 11-(dimethylamino)-10-hydroxyundecanoate.
What is the SMILES notation for methyl 11-(dimethylamino)-10-hydroxyundecanoate?
The canonical SMILES for methyl 11-(dimethylamino)-10-hydroxyundecanoate is COC(=O)CCCCCCCCC(O)CN(C)C.
What is the InChIKey of methyl 11-(dimethylamino)-10-hydroxyundecanoate?
The InChIKey is LEODUDIDDFIJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-15(2)12-13(16)10-8-6-4-5-7-9-11-14(17)18-3/h13,16H,4-12H2,1-3H3.
What are the key properties of methyl 11-(dimethylamino)-10-hydroxyundecanoate?
methyl 11-(dimethylamino)-10-hydroxyundecanoate has a molecular weight of 259.39 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-(dimethylamino)-10-hydroxyundecanoate is sourced from PubChem (CID 3772671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).