methyl 3-(cyclopentylamino)-2-phenylpropanoate

C15H21NO2 — CID 64565196

IUPACmethyl 3-(cyclopentylamino)-2-phenylpropanoate
SMILESCOC(=O)C(CNC1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)14(12-7-3-2-4-8-12)11-16-13-9-5-6-10-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChIKeyWVKBNQMMWWJRIF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds5

About methyl 3-(cyclopentylamino)-2-phenylpropanoate

methyl 3-(cyclopentylamino)-2-phenylpropanoate (PubChem CID 64565196) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 3-(cyclopentylamino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylamino)-2-phenylpropanoate
PubChem CID64565196
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 3-(cyclopentylamino)-2-phenylpropanoate
SMILESCOC(=O)C(CNC1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-18-15(17)14(12-7-3-2-4-8-12)11-16-13-9-5-6-10-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChIKeyWVKBNQMMWWJRIF-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288
methyl 3-[(2-methylcyclopropyl)amino]-2-phenylpropanoate
CID 64559615
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
methyl 3-(cyclobutylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 117243206
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
methyl 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoate
CID 117240782
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylamino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(cyclopentylamino)-2-phenylpropanoate (CID 64565196) is methyl 3-(cyclopentylamino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(cyclopentylamino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(cyclopentylamino)-2-phenylpropanoate is COC(=O)C(CNC1CCCC1)c1ccccc1.
What is the InChIKey of methyl 3-(cyclopentylamino)-2-phenylpropanoate?
The InChIKey is WVKBNQMMWWJRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(17)14(12-7-3-2-4-8-12)11-16-13-9-5-6-10-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3.
What are the key properties of methyl 3-(cyclopentylamino)-2-phenylpropanoate?
methyl 3-(cyclopentylamino)-2-phenylpropanoate has a molecular weight of 247.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylamino)-2-phenylpropanoate is sourced from PubChem (CID 64565196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).