methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate

C13H24N2O4 — CID 78946666

IUPACmethyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
SMILESCCN1CCOC(CN2CCOC(C(=O)OC)C2)C1
InChIInChI=1S/C13H24N2O4/c1-3-14-4-6-18-11(8-14)9-15-5-7-19-12(10-15)13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyKLHNHHAIARJEOZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.42
Rot. Bonds4

About methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate

methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate (PubChem CID 78946666) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
PubChem CID78946666
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
SMILESCCN1CCOC(CN2CCOC(C(=O)OC)C2)C1
InChIInChI=1S/C13H24N2O4/c1-3-14-4-6-18-11(8-14)9-15-5-7-19-12(10-15)13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyKLHNHHAIARJEOZ-UHFFFAOYSA-N
XLogP-0.42
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
methyl 4-(oxolan-3-ylmethyl)morpholine-2-carboxylate
CID 78926397
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241
methyl 4-(2-ethoxyethyl)morpholine-2-carboxylate
CID 78927291
4-ethylmorpholine-2-carboxylate
CID 127053688
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
methyl 4-[(E)-but-2-enyl]morpholine-2-carboxylate
CID 78926479
methyl 4-[2-oxo-2-(propylamino)ethyl]morpholine-2-carboxylate
CID 78926469
methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
CID 113331028
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate (CID 78946666) is methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate is CCN1CCOC(CN2CCOC(C(=O)OC)C2)C1.
What is the InChIKey of methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
The InChIKey is KLHNHHAIARJEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-14-4-6-18-11(8-14)9-15-5-7-19-12(10-15)13(16)17-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate has a molecular weight of 272.34 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 78946666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).