methyl 11-(methoxycarbonylamino)undecanoate

C14H27NO4 — CID 18983477

IUPACmethyl 11-(methoxycarbonylamino)undecanoate
SMILESCOC(=O)CCCCCCCCCCNC(=O)OC
InChIInChI=1S/C14H27NO4/c1-18-13(16)11-9-7-5-3-4-6-8-10-12-15-14(17)19-2/h3-12H2,1-2H3,(H,15,17)
InChIKeyQMEORQOCAMQDSE-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.03
Rot. Bonds11

About methyl 11-(methoxycarbonylamino)undecanoate

methyl 11-(methoxycarbonylamino)undecanoate (PubChem CID 18983477) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is methyl 11-(methoxycarbonylamino)undecanoate.

Molecular Properties

Compound Namemethyl 11-(methoxycarbonylamino)undecanoate
PubChem CID18983477
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namemethyl 11-(methoxycarbonylamino)undecanoate
SMILESCOC(=O)CCCCCCCCCCNC(=O)OC
InChIInChI=1S/C14H27NO4/c1-18-13(16)11-9-7-5-3-4-6-8-10-12-15-14(17)19-2/h3-12H2,1-2H3,(H,15,17)
InChIKeyQMEORQOCAMQDSE-UHFFFAOYSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.03
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-(methoxycarbonylamino)undecanoate?
The IUPAC name of methyl 11-(methoxycarbonylamino)undecanoate (CID 18983477) is methyl 11-(methoxycarbonylamino)undecanoate.
What is the SMILES notation for methyl 11-(methoxycarbonylamino)undecanoate?
The canonical SMILES for methyl 11-(methoxycarbonylamino)undecanoate is COC(=O)CCCCCCCCCCNC(=O)OC.
What is the InChIKey of methyl 11-(methoxycarbonylamino)undecanoate?
The InChIKey is QMEORQOCAMQDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-18-13(16)11-9-7-5-3-4-6-8-10-12-15-14(17)19-2/h3-12H2,1-2H3,(H,15,17).
What are the key properties of methyl 11-(methoxycarbonylamino)undecanoate?
methyl 11-(methoxycarbonylamino)undecanoate has a molecular weight of 273.37 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-(methoxycarbonylamino)undecanoate is sourced from PubChem (CID 18983477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).