ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate

C12H16N2O3 — CID 139232497

IUPACethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](N)N(c2ccccc2)O1
InChIInChI=1S/C12H16N2O3/c1-2-16-12(15)10-8-11(13)14(17-10)9-6-4-3-5-7-9/h3-7,10-11H,2,8,13H2,1H3/t10-,11-/m1/s1
InChIKeyOHAUDPIKIMQKDU-GHMZBOCLSA-N
MW236.27 g/mol
LogP1.04
Rot. Bonds3

About ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate

ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 139232497) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate
PubChem CID139232497
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](N)N(c2ccccc2)O1
InChIInChI=1S/C12H16N2O3/c1-2-16-12(15)10-8-11(13)14(17-10)9-6-4-3-5-7-9/h3-7,10-11H,2,8,13H2,1H3/t10-,11-/m1/s1
InChIKeyOHAUDPIKIMQKDU-GHMZBOCLSA-N
XLogP1.04
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
ethyl 3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 89462859
ethyl (1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 153306997
ethyl (3R,3aR,6aS)-5-methyl-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
CID 138973973
methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate
CID 23821465
methyl (3S,5R)-3-[[(2S)-2-aminopropanoyl]amino]-2-phenyl-1,2-oxazolidine-5-carboxylate
CID 139232517
ethyl (3R,5S)-2-(4-chlorophenyl)-5-(1-diazo-2-ethoxy-2-oxoethyl)-1,2-oxazolidine-3-carboxylate
CID 132552530
ethyl (2S,4S)-4-phenylsulfanyloxolane-2-carboxylate
CID 101458998
ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
CID 58819942
ethyl (2S,4R)-4-phenylselanyloxolane-2-carboxylate
CID 101459002
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate (CID 139232497) is ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate is CCOC(=O)[C@H]1C[C@H](N)N(c2ccccc2)O1.
What is the InChIKey of ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is OHAUDPIKIMQKDU-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-16-12(15)10-8-11(13)14(17-10)9-6-4-3-5-7-9/h3-7,10-11H,2,8,13H2,1H3/t10-,11-/m1/s1.
What are the key properties of ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate?
ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5R)-3-amino-2-phenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 139232497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).