dodecyl 2-aminododecanoate

C24H49NO2 — CID 175586127

IUPACdodecyl 2-aminododecanoate
SMILESCCCCCCCCCCCCOC(=O)C(N)CCCCCCCCCC
InChIInChI=1S/C24H49NO2/c1-3-5-7-9-11-13-14-16-18-20-22-27-24(26)23(25)21-19-17-15-12-10-8-6-4-2/h23H,3-22,25H2,1-2H3
InChIKeyGSHWPCXADZDFDJ-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.31
Rot. Bonds21

About dodecyl 2-aminododecanoate

dodecyl 2-aminododecanoate (PubChem CID 175586127) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is dodecyl 2-aminododecanoate.

Molecular Properties

Compound Namedodecyl 2-aminododecanoate
PubChem CID175586127
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Namedodecyl 2-aminododecanoate
SMILESCCCCCCCCCCCCOC(=O)C(N)CCCCCCCCCC
InChIInChI=1S/C24H49NO2/c1-3-5-7-9-11-13-14-16-18-20-22-27-24(26)23(25)21-19-17-15-12-10-8-6-4-2/h23H,3-22,25H2,1-2H3
InChIKeyGSHWPCXADZDFDJ-UHFFFAOYSA-N
XLogP7.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.31
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

hexadecyl (2S)-2-aminohexanoate
CID 10808138
octadecyl (2R)-2,6-diaminohexanoate
CID 98551343
nonadecyl (2S)-2,6-diaminohexanoate
CID 54272011
heptyl (2R)-2-aminopentanoate
CID 107565724
heptyl 2-aminopentanoate
CID 61302463
octyl (2S)-2,6-diaminohexanoate;dihydrochloride
CID 157427819
(8-nonoxy-8-oxooctyl) 2-aminooctanoate
CID 175126875
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
hexyl 2-amino-4-methoxybutanoate
CID 62478651
decyl 2-aminobutanoate
CID 5124907

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-aminododecanoate?
The IUPAC name of dodecyl 2-aminododecanoate (CID 175586127) is dodecyl 2-aminododecanoate.
What is the SMILES notation for dodecyl 2-aminododecanoate?
The canonical SMILES for dodecyl 2-aminododecanoate is CCCCCCCCCCCCOC(=O)C(N)CCCCCCCCCC.
What is the InChIKey of dodecyl 2-aminododecanoate?
The InChIKey is GSHWPCXADZDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-3-5-7-9-11-13-14-16-18-20-22-27-24(26)23(25)21-19-17-15-12-10-8-6-4-2/h23H,3-22,25H2,1-2H3.
What are the key properties of dodecyl 2-aminododecanoate?
dodecyl 2-aminododecanoate has a molecular weight of 383.66 g/mol, XLogP of 7.31, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-aminododecanoate is sourced from PubChem (CID 175586127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).