(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide

C13H16N2O3 — CID 124709648

IUPAC(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCN1C(=O)CO[C@@H](C(N)=O)[C@H]1c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-2-15-10(16)8-18-12(13(14)17)11(15)9-6-4-3-5-7-9/h3-7,11-12H,2,8H2,1H3,(H2,14,17)/t11-,12-/m1/s1
InChIKeyNBILJQGMAXBBCA-VXGBXAGGSA-N
MW248.28 g/mol
LogP0.46
Rot. Bonds3

About (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 124709648) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID124709648
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCN1C(=O)CO[C@@H](C(N)=O)[C@H]1c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-2-15-10(16)8-18-12(13(14)17)11(15)9-6-4-3-5-7-9/h3-7,11-12H,2,8H2,1H3,(H2,14,17)/t11-,12-/m1/s1
InChIKeyNBILJQGMAXBBCA-VXGBXAGGSA-N
XLogP0.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134707406
(2R,3R)-N-(4-bromophenyl)sulfonyl-5-oxo-3-phenyl-4-propylmorpholine-2-carboxamide
CID 110166862
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate
CID 10705794
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(2S,3R)-N-(2-ethyl-5-methylpyrazol-3-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95737990
(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 124709648) is (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide is CCN1C(=O)CO[C@@H](C(N)=O)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is NBILJQGMAXBBCA-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-15-10(16)8-18-12(13(14)17)11(15)9-6-4-3-5-7-9/h3-7,11-12H,2,8H2,1H3,(H2,14,17)/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 124709648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).