benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate

C20H21NO5 — CID 102511956

IUPACbenzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate
SMILESC[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1OCC(O)CC1=O
InChIInChI=1S/C20H21NO5/c1-14(21-18(23)12-17(22)13-25-21)20(24)26-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19,22H,12-13H2,1H3/t14-,17?/m1/s1
InChIKeyCHXDNVAUNMRZST-XPCCGILXSA-N
MW355.39 g/mol
LogP2.23
Rot. Bonds5

About benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate

benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate (PubChem CID 102511956) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate.

Molecular Properties

Compound Namebenzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate
PubChem CID102511956
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namebenzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate
SMILESC[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1OCC(O)CC1=O
InChIInChI=1S/C20H21NO5/c1-14(21-18(23)12-17(22)13-25-21)20(24)26-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19,22H,12-13H2,1H3/t14-,17?/m1/s1
InChIKeyCHXDNVAUNMRZST-XPCCGILXSA-N
XLogP2.23
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl (2R)-2-chloropropanoate
CID 14524946
[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926307
benzhydryl 2,2-dihydroxyacetate
CID 11076121
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
benzhydryl 2,2-dichloroacetate
CID 102144827
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl (3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-3-carboxylate
CID 163035481
2-(1-phenylethyl)-1,2-oxazolidin-4-ol
CID 130523178
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
benzhydryl (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 27153708

Frequently Asked Questions

What is the IUPAC name of benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate?
The IUPAC name of benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate (CID 102511956) is benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate.
What is the SMILES notation for benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate?
The canonical SMILES for benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate is C[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1OCC(O)CC1=O.
What is the InChIKey of benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate?
The InChIKey is CHXDNVAUNMRZST-XPCCGILXSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14(21-18(23)12-17(22)13-25-21)20(24)26-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19,22H,12-13H2,1H3/t14-,17?/m1/s1.
What are the key properties of benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate?
benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate has a molecular weight of 355.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl (2R)-2-(5-hydroxy-3-oxooxazinan-2-yl)propanoate is sourced from PubChem (CID 102511956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).