cyclohexylmethyl 2-amino-3-phenylpropanoate

C16H23NO2 — CID 62383262

IUPACcyclohexylmethyl 2-amino-3-phenylpropanoate
SMILESNC(Cc1ccccc1)C(=O)OCC1CCCCC1
InChIInChI=1S/C16H23NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2
InChIKeyRKTAWTMQWSKAJE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.68
Rot. Bonds5

About cyclohexylmethyl 2-amino-3-phenylpropanoate

cyclohexylmethyl 2-amino-3-phenylpropanoate (PubChem CID 62383262) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cyclohexylmethyl 2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namecyclohexylmethyl 2-amino-3-phenylpropanoate
PubChem CID62383262
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecyclohexylmethyl 2-amino-3-phenylpropanoate
SMILESNC(Cc1ccccc1)C(=O)OCC1CCCCC1
InChIInChI=1S/C16H23NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2
InChIKeyRKTAWTMQWSKAJE-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
cyclohexylmethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 62384000
oxolan-3-ylmethyl (2S)-2-amino-3-phenylpropanoate
CID 54977339
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
CID 69387169
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
oxan-4-ylmethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 104905857

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-amino-3-phenylpropanoate?
The IUPAC name of cyclohexylmethyl 2-amino-3-phenylpropanoate (CID 62383262) is cyclohexylmethyl 2-amino-3-phenylpropanoate.
What is the SMILES notation for cyclohexylmethyl 2-amino-3-phenylpropanoate?
The canonical SMILES for cyclohexylmethyl 2-amino-3-phenylpropanoate is NC(Cc1ccccc1)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-amino-3-phenylpropanoate?
The InChIKey is RKTAWTMQWSKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2.
What are the key properties of cyclohexylmethyl 2-amino-3-phenylpropanoate?
cyclohexylmethyl 2-amino-3-phenylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-amino-3-phenylpropanoate is sourced from PubChem (CID 62383262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).