methyl 3-[ethyl(oxan-4-yl)amino]propanoate

C11H21NO3 — CID 63937112

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

About methyl 3-[ethyl(oxan-4-yl)amino]propanoate

methyl 3-[ethyl(oxan-4-yl)amino]propanoate (PubChem CID 63937112) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[ethyl(oxan-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(oxan-4-yl)amino]propanoate
PubChem CID63937112
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[ethyl(oxan-4-yl)amino]propanoate
SMILESCCN(CCC(=O)OC)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-12(7-4-11(13)14-2)10-5-8-15-9-6-10/h10H,3-9H2,1-2H3
InChIKeyMLQCIOZDCNAWPC-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-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
CID 79919754
methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
CID 103731361
methyl 3-[(2-cyano-5-fluorophenyl)methyl-(oxan-4-yl)amino]propanoate
CID 75426455
methyl 3-[2-[bis[2-[cyclododecyl-(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl-cyclododecylamino]propanoate
CID 15664430
methyl 3-(oxan-4-yl)propanoate
CID 55296577
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
4-[cyclopropyl(ethyl)amino]butan-2-one
CID 43243301
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(oxan-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(oxan-4-yl)amino]propanoate (CID 63937112) is methyl 3-[ethyl(oxan-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(oxan-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(oxan-4-yl)amino]propanoate is CCN(CCC(=O)OC)C1CCOCC1.
What is the InChIKey of methyl 3-[ethyl(oxan-4-yl)amino]propanoate?
The InChIKey is MLQCIOZDCNAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(7-4-11(13)14-2)10-5-8-15-9-6-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[ethyl(oxan-4-yl)amino]propanoate?
methyl 3-[ethyl(oxan-4-yl)amino]propanoate 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 3-[ethyl(oxan-4-yl)amino]propanoate is sourced from PubChem (CID 63937112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).