methyl 2-(dodecylamino)acetate

C15H31NO2 — CID 63487563

IUPACmethyl 2-(dodecylamino)acetate
SMILESCCCCCCCCCCCCNCC(=O)OC
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(17)18-2/h16H,3-14H2,1-2H3
InChIKeyJGNBZFBRQBHXJV-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.67
Rot. Bonds13

About methyl 2-(dodecylamino)acetate

methyl 2-(dodecylamino)acetate (PubChem CID 63487563) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is methyl 2-(dodecylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(dodecylamino)acetate
PubChem CID63487563
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Namemethyl 2-(dodecylamino)acetate
SMILESCCCCCCCCCCCCNCC(=O)OC
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(17)18-2/h16H,3-14H2,1-2H3
InChIKeyJGNBZFBRQBHXJV-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glycine, N-dodecyl-
CID 16771
N-Octylglycine
CID 350339
Ethyl 2-(pentylamino)acetate
CID 10035079
N-Heptylglycine--hydrogen chloride (1/1)
CID 24186932
N-Undecylglycine
CID 3019755
Glycine, N-octadecyl-
CID 3480557
N-hexadecylglycine
CID 11130339
Sodium dodecylglycinate
CID 23706239
n-Decylglycine
CID 230083
Ethyl 2-(hexylamino)acetate
CID 338208
Ethyl 2-(butylamino)acetate
CID 10607047
Methyl 2-(cyclohexylamino)acetate
CID 11480703

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dodecylamino)acetate?
The IUPAC name of methyl 2-(dodecylamino)acetate (CID 63487563) is methyl 2-(dodecylamino)acetate.
What is the SMILES notation for methyl 2-(dodecylamino)acetate?
The canonical SMILES for methyl 2-(dodecylamino)acetate is CCCCCCCCCCCCNCC(=O)OC.
What is the InChIKey of methyl 2-(dodecylamino)acetate?
The InChIKey is JGNBZFBRQBHXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(17)18-2/h16H,3-14H2,1-2H3.
What are the key properties of methyl 2-(dodecylamino)acetate?
methyl 2-(dodecylamino)acetate has a molecular weight of 257.42 g/mol, XLogP of 3.67, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dodecylamino)acetate is sourced from PubChem (CID 63487563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).