methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate

C11H21NO3 — CID 106824514

IUPACmethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
SMILESCCCNC1(CC(=O)OC)CC(OC)C1
InChIInChI=1S/C11H21NO3/c1-4-5-12-11(8-10(13)15-3)6-9(7-11)14-2/h9,12H,4-8H2,1-3H3
InChIKeyHTHUXAVSUCMODY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds6

About methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate

methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate (PubChem CID 106824514) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
PubChem CID106824514
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
SMILESCCCNC1(CC(=O)OC)CC(OC)C1
InChIInChI=1S/C11H21NO3/c1-4-5-12-11(8-10(13)15-3)6-9(7-11)14-2/h9,12H,4-8H2,1-3H3
InChIKeyHTHUXAVSUCMODY-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824510
ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
CID 106824504
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 107450553
methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate
CID 114079466
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol
CID 106822123
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
methyl 2-[2,3-dimethyl-1-(propylamino)cyclohexyl]acetate
CID 65236117
ethyl 2-[4,4-dimethyl-1-(propylamino)cycloheptyl]acetate
CID 65235940

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
The IUPAC name of methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate (CID 106824514) is methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate is CCCNC1(CC(=O)OC)CC(OC)C1.
What is the InChIKey of methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
The InChIKey is HTHUXAVSUCMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-12-11(8-10(13)15-3)6-9(7-11)14-2/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate is sourced from PubChem (CID 106824514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).