benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate

C15H18N2O3 — CID 14882034

IUPACbenzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
SMILESN#CCCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C15H18N2O3/c16-8-4-7-14-11-17(9-10-19-14)15(18)20-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7,9-12H2
InChIKeyYLOMZAUJLNQHRO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.33
Rot. Bonds4

About benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate

benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate (PubChem CID 14882034) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
PubChem CID14882034
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namebenzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
SMILESN#CCCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C15H18N2O3/c16-8-4-7-14-11-17(9-10-19-14)15(18)20-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7,9-12H2
InChIKeyYLOMZAUJLNQHRO-UHFFFAOYSA-N
XLogP2.33
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl (3S)-3-[(2-cyanoethylamino)methyl]pyrrolidine-1-carboxylate
CID 134211472
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 2-(3-bromocyclobutyl)morpholine-4-carboxylate
CID 164545661
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 177327268

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate?
The IUPAC name of benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate (CID 14882034) is benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate is N#CCCC1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate?
The InChIKey is YLOMZAUJLNQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-8-4-7-14-11-17(9-10-19-14)15(18)20-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7,9-12H2.
What are the key properties of benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate?
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate is sourced from PubChem (CID 14882034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).