cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride

C13H18ClNO2 — CID 69387169

IUPACcyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)OC1CCC1
InChIInChI=1S/C13H17NO2.ClH/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;1H
InChIKeyRACTWZDKLMVBBI-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.07
Rot. Bonds4

About cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride

cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride (PubChem CID 69387169) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namecyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
PubChem CID69387169
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Namecyclobutyl 2-amino-3-phenylpropanoate;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)OC1CCC1
InChIInChI=1S/C13H17NO2.ClH/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;1H
InChIKeyRACTWZDKLMVBBI-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
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
(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119284749
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
CID 175525029
CID 175525029
ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
CID 174956794
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride?
The IUPAC name of cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride (CID 69387169) is cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride?
The canonical SMILES for cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride?
The InChIKey is RACTWZDKLMVBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/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;1H.
What are the key properties of cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride?
cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-amino-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 69387169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).