cyclobutyl (2R)-2-amino-3-phenylpropanoate

C13H17NO2 — CID 104902268

IUPACcyclobutyl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OC1CCC1
InChIInChI=1S/C13H17NO2/c14-12(9-10-5-2-1-3-6-10)13(15)16-11-7-4-8-11/h1-3,5-6,11-12H,4,7-9,14H2/t12-/m1/s1
InChIKeyAQWOXYVGNLCRKT-GFCCVEGCSA-N
MW219.28 g/mol
LogP1.65
Rot. Bonds4

About cyclobutyl (2R)-2-amino-3-phenylpropanoate

cyclobutyl (2R)-2-amino-3-phenylpropanoate (PubChem CID 104902268) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclobutyl (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namecyclobutyl (2R)-2-amino-3-phenylpropanoate
PubChem CID104902268
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclobutyl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OC1CCC1
InChIInChI=1S/C13H17NO2/c14-12(9-10-5-2-1-3-6-10)13(15)16-11-7-4-8-11/h1-3,5-6,11-12H,4,7-9,14H2/t12-/m1/s1
InChIKeyAQWOXYVGNLCRKT-GFCCVEGCSA-N
XLogP1.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
CID 69387169
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
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
CID 175525029
CID 175525029
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119284749
(2S)-2-amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxycyclohexyl]propanoic acid
CID 70505446
(4-methylcyclohexyl) (2S)-2-amino-4-phenylbutanoate
CID 104983525

Frequently Asked Questions

What is the IUPAC name of cyclobutyl (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of cyclobutyl (2R)-2-amino-3-phenylpropanoate (CID 104902268) is cyclobutyl (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for cyclobutyl (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for cyclobutyl (2R)-2-amino-3-phenylpropanoate is N[C@H](Cc1ccccc1)C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl (2R)-2-amino-3-phenylpropanoate?
The InChIKey is AQWOXYVGNLCRKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c14-12(9-10-5-2-1-3-6-10)13(15)16-11-7-4-8-11/h1-3,5-6,11-12H,4,7-9,14H2/t12-/m1/s1.
What are the key properties of cyclobutyl (2R)-2-amino-3-phenylpropanoate?
cyclobutyl (2R)-2-amino-3-phenylpropanoate has a molecular weight of 219.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 104902268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).