methyl 3-amino-2-cyclobutyl-2-phenylpropanoate

C14H19NO2 — CID 106489211

IUPACmethyl 3-amino-2-cyclobutyl-2-phenylpropanoate
SMILESCOC(=O)C(CN)(c1ccccc1)C1CCC1
InChIInChI=1S/C14H19NO2/c1-17-13(16)14(10-15,12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3
InChIKeyWLIPOESDRBRESC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.86
Rot. Bonds4

About methyl 3-amino-2-cyclobutyl-2-phenylpropanoate

methyl 3-amino-2-cyclobutyl-2-phenylpropanoate (PubChem CID 106489211) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-amino-2-cyclobutyl-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-cyclobutyl-2-phenylpropanoate
PubChem CID106489211
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 3-amino-2-cyclobutyl-2-phenylpropanoate
SMILESCOC(=O)C(CN)(c1ccccc1)C1CCC1
InChIInChI=1S/C14H19NO2/c1-17-13(16)14(10-15,12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3
InChIKeyWLIPOESDRBRESC-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
CID 106490917
3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid
CID 106509266
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
CID 106490812
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate
CID 115561548
4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
CID 10266085
methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
CID 95304784

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-cyclobutyl-2-phenylpropanoate?
The IUPAC name of methyl 3-amino-2-cyclobutyl-2-phenylpropanoate (CID 106489211) is methyl 3-amino-2-cyclobutyl-2-phenylpropanoate.
What is the SMILES notation for methyl 3-amino-2-cyclobutyl-2-phenylpropanoate?
The canonical SMILES for methyl 3-amino-2-cyclobutyl-2-phenylpropanoate is COC(=O)C(CN)(c1ccccc1)C1CCC1.
What is the InChIKey of methyl 3-amino-2-cyclobutyl-2-phenylpropanoate?
The InChIKey is WLIPOESDRBRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-13(16)14(10-15,12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3.
What are the key properties of methyl 3-amino-2-cyclobutyl-2-phenylpropanoate?
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-cyclobutyl-2-phenylpropanoate is sourced from PubChem (CID 106489211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).