benzyl (2R)-2-ethylmorpholine-4-carboxylate

C14H19NO3 — CID 164672406

IUPACbenzyl (2R)-2-ethylmorpholine-4-carboxylate
SMILESCC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C14H19NO3/c1-2-13-10-15(8-9-17-13)14(16)18-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyMJWHJIAKRSSNCK-CYBMUJFWSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds3

About benzyl (2R)-2-ethylmorpholine-4-carboxylate

benzyl (2R)-2-ethylmorpholine-4-carboxylate (PubChem CID 164672406) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl (2R)-2-ethylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-ethylmorpholine-4-carboxylate
PubChem CID164672406
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl (2R)-2-ethylmorpholine-4-carboxylate
SMILESCC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C14H19NO3/c1-2-13-10-15(8-9-17-13)14(16)18-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyMJWHJIAKRSSNCK-CYBMUJFWSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate
CID 124889486
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate
CID 124729039
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl (2S)-2-[[benzyl(cyclopropyl)sulfamoyl]methyl]morpholine-4-carboxylate
CID 124729399
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-ethylmorpholine-4-carboxylate?
The IUPAC name of benzyl (2R)-2-ethylmorpholine-4-carboxylate (CID 164672406) is benzyl (2R)-2-ethylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl (2R)-2-ethylmorpholine-4-carboxylate?
The canonical SMILES for benzyl (2R)-2-ethylmorpholine-4-carboxylate is CC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl (2R)-2-ethylmorpholine-4-carboxylate?
The InChIKey is MJWHJIAKRSSNCK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-13-10-15(8-9-17-13)14(16)18-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m1/s1.
What are the key properties of benzyl (2R)-2-ethylmorpholine-4-carboxylate?
benzyl (2R)-2-ethylmorpholine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-ethylmorpholine-4-carboxylate is sourced from PubChem (CID 164672406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).