methyl 11-amino-10-hydroxyundecanoate

C12H25NO3 — CID 10868137

IUPACmethyl 11-amino-10-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCC(O)CN
InChIInChI=1S/C12H25NO3/c1-16-12(15)9-7-5-3-2-4-6-8-11(14)10-13/h11,14H,2-10,13H2,1H3
InChIKeyQGUNTIKKKYIVOR-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.60
Rot. Bonds10

About methyl 11-amino-10-hydroxyundecanoate

methyl 11-amino-10-hydroxyundecanoate (PubChem CID 10868137) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 11-amino-10-hydroxyundecanoate.

Molecular Properties

Compound Namemethyl 11-amino-10-hydroxyundecanoate
PubChem CID10868137
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethyl 11-amino-10-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCC(O)CN
InChIInChI=1S/C12H25NO3/c1-16-12(15)9-7-5-3-2-4-6-8-11(14)10-13/h11,14H,2-10,13H2,1H3
InChIKeyQGUNTIKKKYIVOR-UHFFFAOYSA-N
XLogP1.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-amino-10-hydroxyundecanoate?
The IUPAC name of methyl 11-amino-10-hydroxyundecanoate (CID 10868137) is methyl 11-amino-10-hydroxyundecanoate.
What is the SMILES notation for methyl 11-amino-10-hydroxyundecanoate?
The canonical SMILES for methyl 11-amino-10-hydroxyundecanoate is COC(=O)CCCCCCCCC(O)CN.
What is the InChIKey of methyl 11-amino-10-hydroxyundecanoate?
The InChIKey is QGUNTIKKKYIVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-16-12(15)9-7-5-3-2-4-6-8-11(14)10-13/h11,14H,2-10,13H2,1H3.
What are the key properties of methyl 11-amino-10-hydroxyundecanoate?
methyl 11-amino-10-hydroxyundecanoate has a molecular weight of 231.34 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-amino-10-hydroxyundecanoate is sourced from PubChem (CID 10868137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).