(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid

C11H12O6 — CID 139082726

IUPAC(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(OCC(=O)O)cc1)C(=O)O
InChIInChI=1S/C11H12O6/c1-7(11(14)15)17-9-4-2-8(3-5-9)16-6-10(12)13/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyOXCNECGKTLQFET-SSDOTTSWSA-N
MW240.21 g/mol
LogP1.00
Rot. Bonds6

About (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid

(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid (PubChem CID 139082726) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
PubChem CID139082726
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(OCC(=O)O)cc1)C(=O)O
InChIInChI=1S/C11H12O6/c1-7(11(14)15)17-9-4-2-8(3-5-9)16-6-10(12)13/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyOXCNECGKTLQFET-SSDOTTSWSA-N
XLogP1.00
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-carboxyethoxy)phenoxy]propanoic acid
CID 69292978
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
2-[2-[4-(3-oxobutan-2-yloxy)phenoxy]ethoxy]acetic acid
CID 59205630
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
sodium;hydride;2-phenoxypropanoic acid
CID 174562261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid (CID 139082726) is (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid is C[C@@H](Oc1ccc(OCC(=O)O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid?
The InChIKey is OXCNECGKTLQFET-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12O6/c1-7(11(14)15)17-9-4-2-8(3-5-9)16-6-10(12)13/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid?
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid has a molecular weight of 240.21 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid is sourced from PubChem (CID 139082726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).