ethyl (2R)-2-amino-2-methyltridecanoate

C16H33NO2 — CID 125497893

IUPACethyl (2R)-2-amino-2-methyltridecanoate
SMILESCCCCCCCCCCC[C@@](C)(N)C(=O)OCC
InChIInChI=1S/C16H33NO2/c1-4-6-7-8-9-10-11-12-13-14-16(3,17)15(18)19-5-2/h4-14,17H2,1-3H3/t16-/m1/s1
InChIKeyGUHXIWORKVBYLC-MRXNPFEDSA-N
MW271.44 g/mol
LogP4.19
Rot. Bonds12

About ethyl (2R)-2-amino-2-methyltridecanoate

ethyl (2R)-2-amino-2-methyltridecanoate (PubChem CID 125497893) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-methyltridecanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-methyltridecanoate
PubChem CID125497893
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Nameethyl (2R)-2-amino-2-methyltridecanoate
SMILESCCCCCCCCCCC[C@@](C)(N)C(=O)OCC
InChIInChI=1S/C16H33NO2/c1-4-6-7-8-9-10-11-12-13-14-16(3,17)15(18)19-5-2/h4-14,17H2,1-3H3/t16-/m1/s1
InChIKeyGUHXIWORKVBYLC-MRXNPFEDSA-N
XLogP4.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.19
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

ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
2-amino-2-methyltetradecanamide
CID 175155192
iodomethyl 2-amino-2-methylhexanoate
CID 155453624
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
tetraethyl pentadecane-4,4,10,10-tetracarboxylate
CID 134314067
acetic acid;ethyl 2,2-diheptylnonanoate
CID 87375889
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
CID 66225205
triethyl pentadecane-1,2,2-tricarboxylate
CID 86108292
ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 79184776
ethyl (2R)-2-acetylsulfanyl-2-methyldecanoate
CID 59131235
octyl 2-amino-2-methylbutanoate
CID 79798177

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-methyltridecanoate?
The IUPAC name of ethyl (2R)-2-amino-2-methyltridecanoate (CID 125497893) is ethyl (2R)-2-amino-2-methyltridecanoate.
What is the SMILES notation for ethyl (2R)-2-amino-2-methyltridecanoate?
The canonical SMILES for ethyl (2R)-2-amino-2-methyltridecanoate is CCCCCCCCCCC[C@@](C)(N)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-amino-2-methyltridecanoate?
The InChIKey is GUHXIWORKVBYLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-6-7-8-9-10-11-12-13-14-16(3,17)15(18)19-5-2/h4-14,17H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-methyltridecanoate?
ethyl (2R)-2-amino-2-methyltridecanoate has a molecular weight of 271.44 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-methyltridecanoate is sourced from PubChem (CID 125497893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).