[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate

C14H18O5 — CID 11962000

IUPAC[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
SMILESCC(OC(=O)[C@H](C)OC(=O)[C@H](C)O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-9(15)13(16)19-11(3)14(17)18-10(2)12-7-5-4-6-8-12/h4-11,15H,1-3H3/t9-,10?,11-/m0/s1
InChIKeyUUCVMGOLZNGBGP-JRUYECLLSA-N
MW266.29 g/mol
LogP1.60
Rot. Bonds5

About [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate

[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate (PubChem CID 11962000) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
PubChem CID11962000
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
SMILESCC(OC(=O)[C@H](C)OC(=O)[C@H](C)O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-9(15)13(16)19-11(3)14(17)18-10(2)12-7-5-4-6-8-12/h4-11,15H,1-3H3/t9-,10?,11-/m0/s1
InChIKeyUUCVMGOLZNGBGP-JRUYECLLSA-N
XLogP1.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
1-phenylethyl 3-amino-2-hydroxypropanoate
CID 66164983
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142
[chloro(phenyl)methyl] 2-hydroxypropanoate
CID 69060482
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
1-phenylethyl 3-phenyl-2-sulfanylpropanoate
CID 107018416
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
1-chloroethyl 1-phenylethyl carbonate
CID 119090813
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate?
The IUPAC name of [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate (CID 11962000) is [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate.
What is the SMILES notation for [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate?
The canonical SMILES for [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate is CC(OC(=O)[C@H](C)OC(=O)[C@H](C)O)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate?
The InChIKey is UUCVMGOLZNGBGP-JRUYECLLSA-N. The full InChI is InChI=1S/C14H18O5/c1-9(15)13(16)19-11(3)14(17)18-10(2)12-7-5-4-6-8-12/h4-11,15H,1-3H3/t9-,10?,11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate?
[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate has a molecular weight of 266.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate is sourced from PubChem (CID 11962000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).