ethyl (3R)-morpholine-3-carboxylate

C7H13NO3 — CID 46839508

IUPACethyl (3R)-morpholine-3-carboxylate
SMILESCCOC(=O)[C@H]1COCCN1
InChIInChI=1S/C7H13NO3/c1-2-11-7(9)6-5-10-4-3-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyWQOAAQVACAHQMK-ZCFIWIBFSA-N
MW159.18 g/mol
LogP-0.46
Rot. Bonds2

About ethyl (3R)-morpholine-3-carboxylate

ethyl (3R)-morpholine-3-carboxylate (PubChem CID 46839508) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl (3R)-morpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-morpholine-3-carboxylate
PubChem CID46839508
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl (3R)-morpholine-3-carboxylate
SMILESCCOC(=O)[C@H]1COCCN1
InChIInChI=1S/C7H13NO3/c1-2-11-7(9)6-5-10-4-3-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyWQOAAQVACAHQMK-ZCFIWIBFSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trimethylsilylmethyl (3R)-morpholine-3-carboxylate
CID 124636413
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
1-morpholin-3-ylpropan-1-one
CID 54487560
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
ethyl morpholin-3-yl carbonate
CID 70458711
benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509
ethyl piperazine-2-carboxylate
CID 10633257
ethane;morpholine-3-carboxylic acid
CID 144576497
methyl 2-(morpholine-3-carbonylamino)butanoate
CID 119709002
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-morpholine-3-carboxylate?
The IUPAC name of ethyl (3R)-morpholine-3-carboxylate (CID 46839508) is ethyl (3R)-morpholine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-morpholine-3-carboxylate?
The canonical SMILES for ethyl (3R)-morpholine-3-carboxylate is CCOC(=O)[C@H]1COCCN1.
What is the InChIKey of ethyl (3R)-morpholine-3-carboxylate?
The InChIKey is WQOAAQVACAHQMK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-7(9)6-5-10-4-3-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (3R)-morpholine-3-carboxylate?
ethyl (3R)-morpholine-3-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-morpholine-3-carboxylate is sourced from PubChem (CID 46839508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).