cyclodecyl (2S)-2-amino-3-phenylpropanoate

C19H29NO2 — CID 166650895

IUPACcyclodecyl (2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1ccccc1)C(=O)OC1CCCCCCCCC1
InChIInChI=1S/C19H29NO2/c20-18(15-16-11-7-6-8-12-16)19(21)22-17-13-9-4-2-1-3-5-10-14-17/h6-8,11-12,17-18H,1-5,9-10,13-15,20H2/t18-/m0/s1
InChIKeyDAJKIVWJYAQBNO-SFHVURJKSA-N
MW303.45 g/mol
LogP3.99
Rot. Bonds4

About cyclodecyl (2S)-2-amino-3-phenylpropanoate

cyclodecyl (2S)-2-amino-3-phenylpropanoate (PubChem CID 166650895) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is cyclodecyl (2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namecyclodecyl (2S)-2-amino-3-phenylpropanoate
PubChem CID166650895
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namecyclodecyl (2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1ccccc1)C(=O)OC1CCCCCCCCC1
InChIInChI=1S/C19H29NO2/c20-18(15-16-11-7-6-8-12-16)19(21)22-17-13-9-4-2-1-3-5-10-14-17/h6-8,11-12,17-18H,1-5,9-10,13-15,20H2/t18-/m0/s1
InChIKeyDAJKIVWJYAQBNO-SFHVURJKSA-N
XLogP3.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
CID 69387169
piperidin-4-yl (2R)-2-amino-3-phenylpropanoate
CID 173188794
(4,4-dimethylcyclohexyl) 2-amino-3-phenylpropanoate
CID 114341404
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
1-O-benzyl 5-O-cyclohexyl 2-aminopentanedioate
CID 75982869
cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 7610467
dicyclohexyl 2-(4-phenylbutyl)propanedioate
CID 141391882
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630

Frequently Asked Questions

What is the IUPAC name of cyclodecyl (2S)-2-amino-3-phenylpropanoate?
The IUPAC name of cyclodecyl (2S)-2-amino-3-phenylpropanoate (CID 166650895) is cyclodecyl (2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for cyclodecyl (2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for cyclodecyl (2S)-2-amino-3-phenylpropanoate is N[C@@H](Cc1ccccc1)C(=O)OC1CCCCCCCCC1.
What is the InChIKey of cyclodecyl (2S)-2-amino-3-phenylpropanoate?
The InChIKey is DAJKIVWJYAQBNO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29NO2/c20-18(15-16-11-7-6-8-12-16)19(21)22-17-13-9-4-2-1-3-5-10-14-17/h6-8,11-12,17-18H,1-5,9-10,13-15,20H2/t18-/m0/s1.
What are the key properties of cyclodecyl (2S)-2-amino-3-phenylpropanoate?
cyclodecyl (2S)-2-amino-3-phenylpropanoate has a molecular weight of 303.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyl (2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 166650895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).