methyl 3-[hexyl(methyl)amino]propanoate

C11H23NO2 — CID 57140973

IUPACmethyl 3-[hexyl(methyl)amino]propanoate
SMILESCCCCCCN(C)CCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-9-12(2)10-8-11(13)14-3/h4-10H2,1-3H3
InChIKeyZSURADDSQGIPGF-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds8

About methyl 3-[hexyl(methyl)amino]propanoate

methyl 3-[hexyl(methyl)amino]propanoate (PubChem CID 57140973) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-[hexyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[hexyl(methyl)amino]propanoate
PubChem CID57140973
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-[hexyl(methyl)amino]propanoate
SMILESCCCCCCN(C)CCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-9-12(2)10-8-11(13)14-3/h4-10H2,1-3H3
InChIKeyZSURADDSQGIPGF-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[hexyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[hexyl(methyl)amino]propanoate (CID 57140973) is methyl 3-[hexyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[hexyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[hexyl(methyl)amino]propanoate is CCCCCCN(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[hexyl(methyl)amino]propanoate?
The InChIKey is ZSURADDSQGIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-7-9-12(2)10-8-11(13)14-3/h4-10H2,1-3H3.
What are the key properties of methyl 3-[hexyl(methyl)amino]propanoate?
methyl 3-[hexyl(methyl)amino]propanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[hexyl(methyl)amino]propanoate is sourced from PubChem (CID 57140973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).