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

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Related Compounds

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CID 134833360
methyl (2S)-3-hydroxy-2-[[(3R)-3-methoxy-4-phenylmethoxybutanoyl]amino]propanoate
CID 11301792
(5S,6R)-3-[(2S,3S)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 12149814
benzyl (2S)-2-[[(2S,3S)-2,3-dihydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate
CID 11825511
dibenzyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 14890237
[(1R)-1,3-diphenylpropyl] (2S)-1-(4-hydroxy-3,3-dimethyl-2-oxobutanoyl)piperidine-2-carboxylate
CID 15521837
13,13,16-Trimethyl-2-(2-phenylethyl)-3,15-dioxa-10-azatricyclo[22.3.1.05,10]octacosa-1(27),24(28),25-triene-4,11,12-trione
CID 18728296
2-(4-Benzhydryloxypiperidin-1-yl)propanoic acid
CID 19874246
benzyl 2-[(4S,5S)-4,5-dihydroxy-3-oxooxazinan-2-yl]propanoate
CID 20761519
Benzyl 2-(3-oxooxazinan-2-yl)propanoate
CID 22561645
2-[(3S)-4-methyl-2,5-dioxo-3-[(1R)-1-phenylmethoxyethyl]piperazin-1-yl]acetic acid
CID 46855367

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).