methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate

C15H21NO3 — CID 83235288

IUPACmethyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
SMILESCOC(=O)C(CNOC1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-18-15(17)14(12-7-3-2-4-8-12)11-16-19-13-9-5-6-10-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChIKeyQFASMWRMRBVZIH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds6

About methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate

methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate (PubChem CID 83235288) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
PubChem CID83235288
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
SMILESCOC(=O)C(CNOC1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-18-15(17)14(12-7-3-2-4-8-12)11-16-19-13-9-5-6-10-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChIKeyQFASMWRMRBVZIH-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
methyl 3-[(2-methylcyclopropyl)amino]-2-phenylpropanoate
CID 64559615
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
CID 64559421
methyl 3-[2-(oxolan-2-yl)ethylamino]-2-phenylpropanoate
CID 64567904
2-chloro-N-cyclopentyloxy-2-phenylacetamide
CID 83228662
methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate (CID 83235288) is methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate is COC(=O)C(CNOC1CCCC1)c1ccccc1.
What is the InChIKey of methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate?
The InChIKey is QFASMWRMRBVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)14(12-7-3-2-4-8-12)11-16-19-13-9-5-6-10-13/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3.
What are the key properties of methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate?
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate is sourced from PubChem (CID 83235288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).