methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate

C14H19NO3 — CID 55041263

IUPACmethyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
SMILESCOC(=O)C(N)(COC1CCC1)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-17-13(16)14(15,10-18-12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3
InChIKeyVVNCTKQLJCGGJL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate

methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate (PubChem CID 55041263) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
PubChem CID55041263
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
SMILESCOC(=O)C(N)(COC1CCC1)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-17-13(16)14(15,10-18-12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3
InChIKeyVVNCTKQLJCGGJL-UHFFFAOYSA-N
XLogP1.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate
CID 115561548
ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
CID 116694362
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl 2-amino-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylpropanoate
CID 64837609
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
methyl 2-amino-4-(2,5-dioxopyrrolidin-1-yl)-2-phenylbutanoate
CID 116694039

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate?
The IUPAC name of methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate (CID 55041263) is methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate?
The canonical SMILES for methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate is COC(=O)C(N)(COC1CCC1)c1ccccc1.
What is the InChIKey of methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate?
The InChIKey is VVNCTKQLJCGGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13(16)14(15,10-18-12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3.
What are the key properties of methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate?
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate has a molecular weight of 249.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate is sourced from PubChem (CID 55041263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).