methyl 2-[oxan-4-yl(propyl)amino]acetate

C11H21NO3 — CID 63937297

IUPACmethyl 2-[oxan-4-yl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-6-12(9-11(13)14-2)10-4-7-15-8-5-10/h10H,3-9H2,1-2H3
InChIKeyFTOORXSXEGBVQW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds5

About methyl 2-[oxan-4-yl(propyl)amino]acetate

methyl 2-[oxan-4-yl(propyl)amino]acetate (PubChem CID 63937297) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[oxan-4-yl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[oxan-4-yl(propyl)amino]acetate
PubChem CID63937297
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[oxan-4-yl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-6-12(9-11(13)14-2)10-4-7-15-8-5-10/h10H,3-9H2,1-2H3
InChIKeyFTOORXSXEGBVQW-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
methyl 2-[cyclopentyl(oxolan-3-ylmethyl)amino]acetate
CID 80708077
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
methyl 2-[(5-fluoro-2-methylphenyl)methyl-(oxan-4-yl)amino]acetate
CID 91660048
tert-butyl 2-[oxan-4-yl(2-propan-2-ylsulfanylethyl)amino]acetate
CID 122154612
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
methyl 2-[[2-(aminomethyl)cycloheptyl]-propylamino]acetate
CID 63404288
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
methyl 4-[piperidin-4-yl(propyl)amino]butanoate
CID 54923740

Frequently Asked Questions

What is the IUPAC name of methyl 2-[oxan-4-yl(propyl)amino]acetate?
The IUPAC name of methyl 2-[oxan-4-yl(propyl)amino]acetate (CID 63937297) is methyl 2-[oxan-4-yl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[oxan-4-yl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[oxan-4-yl(propyl)amino]acetate is CCCN(CC(=O)OC)C1CCOCC1.
What is the InChIKey of methyl 2-[oxan-4-yl(propyl)amino]acetate?
The InChIKey is FTOORXSXEGBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-6-12(9-11(13)14-2)10-4-7-15-8-5-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-[oxan-4-yl(propyl)amino]acetate?
methyl 2-[oxan-4-yl(propyl)amino]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[oxan-4-yl(propyl)amino]acetate is sourced from PubChem (CID 63937297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).