cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate

C20H40N2O2 — CID 146383810

IUPACcyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate
SMILESCN(C)CCCC[C@H](N)C(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C20H40N2O2/c1-22(2)17-13-12-16-19(21)20(23)24-18-14-10-8-6-4-3-5-7-9-11-15-18/h18-19H,3-17,21H2,1-2H3/t19-/m0/s1
InChIKeyVAYREYYOEYFZFF-IBGZPJMESA-N
MW340.55 g/mol
LogP4.26
Rot. Bonds7

About cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate

cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate (PubChem CID 146383810) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate.

Molecular Properties

Compound Namecyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate
PubChem CID146383810
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Namecyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate
SMILESCN(C)CCCC[C@H](N)C(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C20H40N2O2/c1-22(2)17-13-12-16-19(21)20(23)24-18-14-10-8-6-4-3-5-7-9-11-15-18/h18-19H,3-17,21H2,1-2H3/t19-/m0/s1
InChIKeyVAYREYYOEYFZFF-IBGZPJMESA-N
XLogP4.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.26
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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Related Compounds

cyclopentyl 2-aminopentanoate
CID 61278203
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
dicyclohexyl 2-aminobutanedioate chloride
CID 53312802
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948

Frequently Asked Questions

What is the IUPAC name of cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate?
The IUPAC name of cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate (CID 146383810) is cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate.
What is the SMILES notation for cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate?
The canonical SMILES for cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate is CN(C)CCCC[C@H](N)C(=O)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate?
The InChIKey is VAYREYYOEYFZFF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H40N2O2/c1-22(2)17-13-12-16-19(21)20(23)24-18-14-10-8-6-4-3-5-7-9-11-15-18/h18-19H,3-17,21H2,1-2H3/t19-/m0/s1.
What are the key properties of cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate?
cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate has a molecular weight of 340.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl (2S)-2-amino-6-(dimethylamino)hexanoate is sourced from PubChem (CID 146383810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).