cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate

C16H23NO2 — CID 155077226

IUPACcyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
SMILESCN[C@@H](Cc1ccccc1)C(=O)OC1CCCCC1
InChIInChI=1S/C16H23NO2/c1-17-15(12-13-8-4-2-5-9-13)16(18)19-14-10-6-3-7-11-14/h2,4-5,8-9,14-15,17H,3,6-7,10-12H2,1H3/t15-/m0/s1
InChIKeyXYAUQHLPSZKVOD-HNNXBMFYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds5

About cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate

cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate (PubChem CID 155077226) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
PubChem CID155077226
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
SMILESCN[C@@H](Cc1ccccc1)C(=O)OC1CCCCC1
InChIInChI=1S/C16H23NO2/c1-17-15(12-13-8-4-2-5-9-13)16(18)19-14-10-6-3-7-11-14/h2,4-5,8-9,14-15,17H,3,6-7,10-12H2,1H3/t15-/m0/s1
InChIKeyXYAUQHLPSZKVOD-HNNXBMFYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate
CID 67052665
cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
CID 69387169
cyclohexyl 4-[[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]methyl]benzoate
CID 145416176
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
CID 87223141
nitroso (2S)-2-(methylamino)-3-phenylpropanoate;hydrochloride
CID 174857329
cyclopentyl (2S)-2-[[5-(cyclopropylmethyl)thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 166358012

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate?
The IUPAC name of cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate (CID 155077226) is cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate.
What is the SMILES notation for cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate?
The canonical SMILES for cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate is CN[C@@H](Cc1ccccc1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate?
The InChIKey is XYAUQHLPSZKVOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-15(12-13-8-4-2-5-9-13)16(18)19-14-10-6-3-7-11-14/h2,4-5,8-9,14-15,17H,3,6-7,10-12H2,1H3/t15-/m0/s1.
What are the key properties of cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate?
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate is sourced from PubChem (CID 155077226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).