diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate

C15H20O6 — CID 173467023

IUPACdiethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
SMILESCCOC(=O)C(O)[C@@H](OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H20O6/c1-3-19-14(17)12(16)13(15(18)20-4-2)21-10-11-8-6-5-7-9-11/h5-9,12-13,16H,3-4,10H2,1-2H3/t12?,13-/m1/s1
InChIKeyMDMNHGADPKANHJ-ZGTCLIOFSA-N
MW296.32 g/mol
LogP1.06
Rot. Bonds8

About diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate

diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate (PubChem CID 173467023) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate.

Molecular Properties

Compound Namediethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
PubChem CID173467023
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namediethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
SMILESCCOC(=O)C(O)[C@@H](OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H20O6/c1-3-19-14(17)12(16)13(15(18)20-4-2)21-10-11-8-6-5-7-9-11/h5-9,12-13,16H,3-4,10H2,1-2H3/t12?,13-/m1/s1
InChIKeyMDMNHGADPKANHJ-ZGTCLIOFSA-N
XLogP1.06
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl (3S)-2-benzyl-3-hydroxybutanedioate
CID 57289528
diethyl (2S,3R)-2-benzyl-3-hydroxybutanedioate
CID 12567693
ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate
CID 135050682
3-benzyl-4-ethoxy-2-hydroxy-4-oxobutanoic acid
CID 69330508
diethyl 3-phenylmethoxypentanedioate
CID 73212048
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
2-benzyl-4-ethoxy-3-hydroxy-4-oxobutanoic acid
CID 22022904
3-O-benzyl 1-O-ethyl 2-ethylpropanedioate
CID 57182542
2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide
CID 561543
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114

Frequently Asked Questions

What is the IUPAC name of diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate?
The IUPAC name of diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate (CID 173467023) is diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate.
What is the SMILES notation for diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate?
The canonical SMILES for diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate is CCOC(=O)C(O)[C@@H](OCc1ccccc1)C(=O)OCC.
What is the InChIKey of diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate?
The InChIKey is MDMNHGADPKANHJ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H20O6/c1-3-19-14(17)12(16)13(15(18)20-4-2)21-10-11-8-6-5-7-9-11/h5-9,12-13,16H,3-4,10H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate?
diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate has a molecular weight of 296.32 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate is sourced from PubChem (CID 173467023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).