methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate

C9H14N2O3 — CID 97300104

IUPACmethyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@H]1COCCN1CCC#N
InChIInChI=1S/C9H14N2O3/c1-13-9(12)8-7-14-6-5-11(8)4-2-3-10/h8H,2,4-7H2,1H3/t8-/m1/s1
InChIKeyJPRNTHFKSNGLBR-MRVPVSSYSA-N
MW198.22 g/mol
LogP-0.23
Rot. Bonds3

About methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate

methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate (PubChem CID 97300104) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
PubChem CID97300104
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@H]1COCCN1CCC#N
InChIInChI=1S/C9H14N2O3/c1-13-9(12)8-7-14-6-5-11(8)4-2-3-10/h8H,2,4-7H2,1H3/t8-/m1/s1
InChIKeyJPRNTHFKSNGLBR-MRVPVSSYSA-N
XLogP-0.23
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate
CID 104774976
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
CID 115670530
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-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]morpholine-3-carboxylate
CID 170994682
methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate
CID 115670411
4-(3-cyanopropyl)morpholine-3-carboxamide
CID 83093014
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
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate?
The IUPAC name of methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate (CID 97300104) is methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate is COC(=O)[C@H]1COCCN1CCC#N.
What is the InChIKey of methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate?
The InChIKey is JPRNTHFKSNGLBR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-13-9(12)8-7-14-6-5-11(8)4-2-3-10/h8H,2,4-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate?
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate has a molecular weight of 198.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate is sourced from PubChem (CID 97300104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).