methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate

C11H14O4 — CID 12965597

IUPACmethyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
SMILESCOC(=O)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C11H14O4/c1-14-11(13)10(7-12)15-8-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m0/s1
InChIKeyCBBVDLFNPOJIMW-JTQLQIEISA-N
MW210.23 g/mol
LogP0.74
Rot. Bonds5

About methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate

methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate (PubChem CID 12965597) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
PubChem CID12965597
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
SMILESCOC(=O)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C11H14O4/c1-14-11(13)10(7-12)15-8-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m0/s1
InChIKeyCBBVDLFNPOJIMW-JTQLQIEISA-N
XLogP0.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid
CID 150509300
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708
2-phenylmethoxybutanoic acid
CID 11816388
methyl (2R,3S,4R)-4-hydroxy-3-methyl-2-phenylmethoxypentanoate
CID 11791672
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate
CID 10737104
(2S)-4-methyl-2-phenylmethoxypentanamide
CID 141033880
3-O-benzyl 1-O-methyl 2-aminopropanedioate;hydrochloride
CID 14861668

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate (CID 12965597) is methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate is COC(=O)[C@H](CO)OCc1ccccc1.
What is the InChIKey of methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate?
The InChIKey is CBBVDLFNPOJIMW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O4/c1-14-11(13)10(7-12)15-8-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate?
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate has a molecular weight of 210.23 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate is sourced from PubChem (CID 12965597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).