methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate

C11H19NO4 — CID 115670570

IUPACmethyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC1CCOC1
InChIInChI=1S/C11H19NO4/c1-14-11(13)10-8-16-5-3-12(10)6-9-2-4-15-7-9/h9-10H,2-8H2,1H3
InChIKeyDAXWFECFWKCFAG-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.10
Rot. Bonds3

About methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate

methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate (PubChem CID 115670570) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
PubChem CID115670570
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC1CCOC1
InChIInChI=1S/C11H19NO4/c1-14-11(13)10-8-16-5-3-12(10)6-9-2-4-15-7-9/h9-10H,2-8H2,1H3
InChIKeyDAXWFECFWKCFAG-UHFFFAOYSA-N
XLogP-0.10
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917
methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786436
methyl (3R)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786437
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
tert-butyl (2R)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 80709054
tert-butyl (2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylate
CID 81002974
methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583

Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate (CID 115670570) is methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate is COC(=O)C1COCCN1CC1CCOC1.
What is the InChIKey of methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate?
The InChIKey is DAXWFECFWKCFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-14-11(13)10-8-16-5-3-12(10)6-9-2-4-15-7-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate?
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).