methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate

C12H21NO5 — CID 113296435

IUPACmethyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
SMILESCCCCOC(=O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C12H21NO5/c1-3-4-6-18-11(14)8-13-5-7-17-9-10(13)12(15)16-2/h10H,3-9H2,1-2H3
InChIKeySAQMTLDIYOIFGB-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.20
Rot. Bonds6

About methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate

methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate (PubChem CID 113296435) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
PubChem CID113296435
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namemethyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
SMILESCCCCOC(=O)CN1CCOCC1C(=O)OC
InChIInChI=1S/C12H21NO5/c1-3-4-6-18-11(14)8-13-5-7-17-9-10(13)12(15)16-2/h10H,3-9H2,1-2H3
InChIKeySAQMTLDIYOIFGB-UHFFFAOYSA-N
XLogP0.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303
methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583
methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate
CID 115670460
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 104774499
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-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate (CID 113296435) is methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate is CCCCOC(=O)CN1CCOCC1C(=O)OC.
What is the InChIKey of methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate?
The InChIKey is SAQMTLDIYOIFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-4-6-18-11(14)8-13-5-7-17-9-10(13)12(15)16-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate?
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate is sourced from PubChem (CID 113296435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).