cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate

C19H29NO3 — CID 144899407

IUPACcyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate
SMILESC1CC1.COC(=O)C(C)Cc1cccc(OC(C)C2CNC2)c1
InChIInChI=1S/C16H23NO3.C3H6/c1-11(16(18)19-3)7-13-5-4-6-15(8-13)20-12(2)14-9-17-10-14;1-2-3-1/h4-6,8,11-12,14,17H,7,9-10H2,1-3H3;1-3H2
InChIKeyOHZZWNFQIOATSE-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.20
Rot. Bonds6

About cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate

cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate (PubChem CID 144899407) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namecyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate
PubChem CID144899407
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Namecyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate
SMILESC1CC1.COC(=O)C(C)Cc1cccc(OC(C)C2CNC2)c1
InChIInChI=1S/C16H23NO3.C3H6/c1-11(16(18)19-3)7-13-5-4-6-15(8-13)20-12(2)14-9-17-10-14;1-2-3-1/h4-6,8,11-12,14,17H,7,9-10H2,1-3H3;1-3H2
InChIKeyOHZZWNFQIOATSE-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropyl-2-methylpropanoate
CID 123456154
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
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CID 171238413
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CID 159670756
(2S)-2-[3-(2-methylpropyl)phenoxy]-2-[(3R)-pyrrolidin-3-yl]acetic acid
CID 176774959
cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate
CID 145377876
methyl 2-methyl-3-phenylpropanoate
CID 11105919
3-(1-phenoxyethyl)azetidine
CID 105437140
cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate
CID 139473616
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836

Frequently Asked Questions

What is the IUPAC name of cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate?
The IUPAC name of cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate (CID 144899407) is cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate.
What is the SMILES notation for cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate?
The canonical SMILES for cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate is C1CC1.COC(=O)C(C)Cc1cccc(OC(C)C2CNC2)c1.
What is the InChIKey of cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate?
The InChIKey is OHZZWNFQIOATSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.C3H6/c1-11(16(18)19-3)7-13-5-4-6-15(8-13)20-12(2)14-9-17-10-14;1-2-3-1/h4-6,8,11-12,14,17H,7,9-10H2,1-3H3;1-3H2.
What are the key properties of cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate?
cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate has a molecular weight of 319.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate is sourced from PubChem (CID 144899407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).