methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate

C13H17NO3 — CID 102523732

IUPACmethyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1C[C@@H](c2ccccc2)ON1
InChIInChI=1S/C13H17NO3/c1-9(13(15)16-2)11-8-12(17-14-11)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9-,11-,12+/m1/s1
InChIKeyINMWRNGXMSNATJ-JLLWLGSASA-N
MW235.28 g/mol
LogP1.83
Rot. Bonds3

About methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate

methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate (PubChem CID 102523732) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate
PubChem CID102523732
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1C[C@@H](c2ccccc2)ON1
InChIInChI=1S/C13H17NO3/c1-9(13(15)16-2)11-8-12(17-14-11)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9-,11-,12+/m1/s1
InChIKeyINMWRNGXMSNATJ-JLLWLGSASA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[(phenylmethoxyamino)methyl]hexanoate
CID 85993146
Methyl 2-(cyclopentylmethyl)-3-(phenylmethoxyamino)propanoate
CID 90422555
methyl (5S)-5-(4-fluorophenyl)-5-(oxan-2-ylmethylamino)oxypentanoate
CID 143138851
tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate
CID 11198020
Ethyl 5-phenyl-1,2-oxazolidine-3-carboxylate
CID 135037592
methyl 2-[(3R,6R)-6-phenyloxazinan-3-yl]acetate
CID 135038294
methyl 2-[(3R,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate
CID 135038367
methyl 2-[(3S,4R)-4-phenyl-1,2-oxazolidin-3-yl]acetate
CID 135038428
Methyl 2-(cyclopropylmethyl)-3-(phenylmethoxyamino)propanoate
CID 139261994
Methyl 2-(cyclohexylmethyl)-3-(phenylmethoxyamino)propanoate
CID 139261995
(3S)-3-(phenylmethoxyamino)decanoic acid
CID 176430912
methyl (3S)-3-(phenylmethoxyamino)decanoate
CID 176430918

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate (CID 102523732) is methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate is COC(=O)[C@H](C)[C@H]1C[C@@H](c2ccccc2)ON1.
What is the InChIKey of methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate?
The InChIKey is INMWRNGXMSNATJ-JLLWLGSASA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(13(15)16-2)11-8-12(17-14-11)10-6-4-3-5-7-10/h3-7,9,11-12,14H,8H2,1-2H3/t9-,11-,12+/m1/s1.
What are the key properties of methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate?
methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 102523732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).