methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate

C16H24N2O2 — CID 64559421

IUPACmethyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCCN(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(14-8-9-14)11-10-17-12-15(16(19)20-2)13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3
InChIKeyDMWFQLLCWUTFCF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds8

About methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate

methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate (PubChem CID 64559421) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
PubChem CID64559421
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCCN(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(14-8-9-14)11-10-17-12-15(16(19)20-2)13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3
InChIKeyDMWFQLLCWUTFCF-UHFFFAOYSA-N
XLogP1.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
methyl 3-[3-[methyl(propan-2-yl)amino]propylamino]-2-phenylpropanoate
CID 106036554
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
methyl 3-[2-(oxolan-2-yl)ethylamino]-2-phenylpropanoate
CID 64567904
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
methyl 2-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 64561155
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate (CID 64559421) is methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate is COC(=O)C(CNCCN(C)C1CC1)c1ccccc1.
What is the InChIKey of methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate?
The InChIKey is DMWFQLLCWUTFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(14-8-9-14)11-10-17-12-15(16(19)20-2)13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3.
What are the key properties of methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate?
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate has a molecular weight of 276.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate is sourced from PubChem (CID 64559421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).