methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate

C16H23NO2 — CID 64567717

IUPACmethyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(C)CC1CCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-17(11-13-7-6-8-13)12-15(16(18)19-2)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3
InChIKeyMGAQZWLUJIIFIG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.68
Rot. Bonds6

About methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate

methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate (PubChem CID 64567717) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
PubChem CID64567717
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
SMILESCOC(=O)C(CN(C)CC1CCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-17(11-13-7-6-8-13)12-15(16(18)19-2)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3
InChIKeyMGAQZWLUJIIFIG-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
methyl 3-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylpropanoate
CID 64567315
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64567514
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
CID 79652279
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
methyl 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-phenylpropanoate
CID 116653047
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate (CID 64567717) is methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate is COC(=O)C(CN(C)CC1CCC1)c1ccccc1.
What is the InChIKey of methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate?
The InChIKey is MGAQZWLUJIIFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(11-13-7-6-8-13)12-15(16(18)19-2)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12H2,1-2H3.
What are the key properties of methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate?
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 64567717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).