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

C12H23NO3 — CID 106824510

IUPACethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
SMILESCCCNC1(CC(=O)OCC)CC(OC)C1
InChIInChI=1S/C12H23NO3/c1-4-6-13-12(7-10(8-12)15-3)9-11(14)16-5-2/h10,13H,4-9H2,1-3H3
InChIKeyXYDKAXPZLVHQCG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds7

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

ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate (PubChem CID 106824510) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
PubChem CID106824510
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
SMILESCCCNC1(CC(=O)OCC)CC(OC)C1
InChIInChI=1S/C12H23NO3/c1-4-6-13-12(7-10(8-12)15-3)9-11(14)16-5-2/h10,13H,4-9H2,1-3H3
InChIKeyXYDKAXPZLVHQCG-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824514
ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
CID 106824504
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
ethyl 2-[4-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 65235883
ethyl 2-[4,4-dimethyl-1-(propylamino)cycloheptyl]acetate
CID 65235940
ethyl 2-[2,4,4-trimethyl-1-(propylamino)cyclohexyl]acetate
CID 81315036
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
CID 118977664
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
CID 106824103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
The IUPAC name of ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate (CID 106824510) is ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate.
What is the SMILES notation for ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
The canonical SMILES for ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate is CCCNC1(CC(=O)OCC)CC(OC)C1.
What is the InChIKey of ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
The InChIKey is XYDKAXPZLVHQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-6-13-12(7-10(8-12)15-3)9-11(14)16-5-2/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate?
ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate is sourced from PubChem (CID 106824510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).