2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid

C10H10O5 — CID 91294705

IUPAC2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1cccc(C(O)C(=O)O)c1
InChIInChI=1S/C10H10O5/c1-15-10(14)7-4-2-3-6(5-7)8(11)9(12)13/h2-5,8,11H,1H3,(H,12,13)
InChIKeyYOIPRPXIYSFVEX-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.59
Rot. Bonds3

About 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid

2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid (PubChem CID 91294705) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid
PubChem CID91294705
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1cccc(C(O)C(=O)O)c1
InChIInChI=1S/C10H10O5/c1-15-10(14)7-4-2-3-6(5-7)8(11)9(12)13/h2-5,8,11H,1H3,(H,12,13)
InChIKeyYOIPRPXIYSFVEX-UHFFFAOYSA-N
XLogP0.59
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
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methyl 3-(1,2,3-trihydroxypropyl)benzoate
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methyl 3-[(1S)-1-amino-2,2-difluoroethyl]benzoate
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methyl 3-(1,2-dihydroxy-3-sulfanylpropyl)benzoate
CID 170820164
methyl 3-(1-hydroxy-3-phenylpropyl)benzoate
CID 54312019
methyl 3-[(1R)-1-amino-2,2-difluoroethyl]benzoate;hydrochloride
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methyl 3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid (CID 91294705) is 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid is COC(=O)c1cccc(C(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid?
The InChIKey is YOIPRPXIYSFVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-15-10(14)7-4-2-3-6(5-7)8(11)9(12)13/h2-5,8,11H,1H3,(H,12,13).
What are the key properties of 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid?
2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid has a molecular weight of 210.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-methoxycarbonylphenyl)acetic acid is sourced from PubChem (CID 91294705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).