methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate

C13H24N2O5 — CID 170994682

IUPACmethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-12(17)14-5-6-15-7-8-19-9-10(15)11(16)18-4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyBQISSBQIQHXBDN-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.38
Rot. Bonds4

About methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate

methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate (PubChem CID 170994682) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate
PubChem CID170994682
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Namemethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-12(17)14-5-6-15-7-8-19-9-10(15)11(16)18-4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyBQISSBQIQHXBDN-UHFFFAOYSA-N
XLogP0.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-2-carboxylate
CID 72979082
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
CID 115670530
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741
methyl 4-[(E)-but-2-enyl]morpholine-3-carboxylate
CID 115670620
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate
CID 115670521
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate (CID 170994682) is methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate is COC(=O)C1COCCN1CCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate?
The InChIKey is BQISSBQIQHXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(2,3)20-12(17)14-5-6-15-7-8-19-9-10(15)11(16)18-4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate?
methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate is sourced from PubChem (CID 170994682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).