methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate

C14H16ClNO4 — CID 139647185

IUPACmethyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1C[C@@H](c2cccc(Cl)c2)OCC1=O
InChIInChI=1S/C14H16ClNO4/c1-9(14(18)19-2)16-7-12(20-8-13(16)17)10-4-3-5-11(15)6-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m1/s1
InChIKeyRNRLMWFLWVTLNS-SKDRFNHKSA-N
MW297.74 g/mol
LogP1.80
Rot. Bonds3

About methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate

methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate (PubChem CID 139647185) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate
PubChem CID139647185
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Namemethyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1C[C@@H](c2cccc(Cl)c2)OCC1=O
InChIInChI=1S/C14H16ClNO4/c1-9(14(18)19-2)16-7-12(20-8-13(16)17)10-4-3-5-11(15)6-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m1/s1
InChIKeyRNRLMWFLWVTLNS-SKDRFNHKSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(3-chlorophenyl)-5-oxomorpholin-4-yl]butanoate
CID 139647180
2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
CID 138032990
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
ethyl (2S)-2-[(2R,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoate
CID 90347823
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 110358386
methyl 2-[4-[2-[5-(3-chlorophenyl)-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate
CID 10572446
2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
CID 110356676
1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
ethyl (2S)-2-[(2S,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]pentanoate
CID 154317202
N-(2-amino-2-oxoethyl)-4-[2-[5-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]propyl]benzamide
CID 14279414
(2S)-1-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-ol
CID 124621379
(5R)-5-(3-chlorophenyl)-3-[(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl]-1,3-oxazolidin-2-one
CID 67823889

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate (CID 139647185) is methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate is COC(=O)[C@@H](C)N1C[C@@H](c2cccc(Cl)c2)OCC1=O.
What is the InChIKey of methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate?
The InChIKey is RNRLMWFLWVTLNS-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-9(14(18)19-2)16-7-12(20-8-13(16)17)10-4-3-5-11(15)6-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate?
methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate has a molecular weight of 297.74 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate is sourced from PubChem (CID 139647185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).