methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate

C16H23NO2 — CID 79976702

IUPACmethyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OC)c1cccc(C2CC2)c1
InChIInChI=1S/C16H23NO2/c1-3-9-17-15(11-16(18)19-2)14-6-4-5-13(10-14)12-7-8-12/h4-6,10,12,15,17H,3,7-9,11H2,1-2H3
InChIKeyOFHUPDBKNZSPRG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds7

About methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate

methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate (PubChem CID 79976702) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
PubChem CID79976702
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OC)c1cccc(C2CC2)c1
InChIInChI=1S/C16H23NO2/c1-3-9-17-15(11-16(18)19-2)14-6-4-5-13(10-14)12-7-8-12/h4-6,10,12,15,17H,3,7-9,11H2,1-2H3
InChIKeyOFHUPDBKNZSPRG-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
methyl 3-(3,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235912
methyl 3-(3-fluoro-4-methylphenyl)-3-(propylamino)propanoate
CID 65236016
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
methyl 2-chloro-2-(3-cyclopropylphenyl)acetate
CID 79979811
methyl 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetate
CID 117410651
methyl 3-(propylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 65235964
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
CID 105379694

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate?
The IUPAC name of methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate (CID 79976702) is methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate?
The canonical SMILES for methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate is CCCNC(CC(=O)OC)c1cccc(C2CC2)c1.
What is the InChIKey of methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate?
The InChIKey is OFHUPDBKNZSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-9-17-15(11-16(18)19-2)14-6-4-5-13(10-14)12-7-8-12/h4-6,10,12,15,17H,3,7-9,11H2,1-2H3.
What are the key properties of methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate?
methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate has a molecular weight of 261.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate is sourced from PubChem (CID 79976702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).