(2R)-2-methoxy-3-phenylpropanoic acid

C10H12O3 — CID 72942339

IUPAC(2R)-2-methoxy-3-phenylpropanoic acid
SMILESCO[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)/t9-/m1/s1
InChIKeyVOAUBXLCHZVCPI-SECBINFHSA-N
MW180.20 g/mol
LogP1.33
Rot. Bonds4

About (2R)-2-methoxy-3-phenylpropanoic acid

(2R)-2-methoxy-3-phenylpropanoic acid (PubChem CID 72942339) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-methoxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-methoxy-3-phenylpropanoic acid
PubChem CID72942339
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-methoxy-3-phenylpropanoic acid
SMILESCO[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)/t9-/m1/s1
InChIKeyVOAUBXLCHZVCPI-SECBINFHSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3-phenylpropanethioic S-acid
CID 154225885
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
CID 67008033
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890
2-ethoxy-3-phenylpropanoic acid
CID 54403311
2-methoxy-1,5-diphenylpentan-3-one
CID 50994790
3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
CID 173177710
(2S)-2-aminooxy-3-phenylpropanoic acid
CID 15582761
2-methoxy-3-[4-[4-(4-phenylphenoxy)butoxy]phenyl]propanoic acid
CID 18443550
2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 3025998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-methoxy-3-phenylpropanoic acid (CID 72942339) is (2R)-2-methoxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-methoxy-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-methoxy-3-phenylpropanoic acid is CO[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-methoxy-3-phenylpropanoic acid?
The InChIKey is VOAUBXLCHZVCPI-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (2R)-2-methoxy-3-phenylpropanoic acid?
(2R)-2-methoxy-3-phenylpropanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-3-phenylpropanoic acid is sourced from PubChem (CID 72942339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).