2-(1-carboxyethyl)-3-methoxybenzoic acid

C11H12O5 — CID 12962431

IUPAC2-(1-carboxyethyl)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1C(C)C(=O)O
InChIInChI=1S/C11H12O5/c1-6(10(12)13)9-7(11(14)15)4-3-5-8(9)16-2/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyZVNWTFIYKLKZRU-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.58
Rot. Bonds4

About 2-(1-carboxyethyl)-3-methoxybenzoic acid

2-(1-carboxyethyl)-3-methoxybenzoic acid (PubChem CID 12962431) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(1-carboxyethyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-(1-carboxyethyl)-3-methoxybenzoic acid
PubChem CID12962431
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(1-carboxyethyl)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1C(C)C(=O)O
InChIInChI=1S/C11H12O5/c1-6(10(12)13)9-7(11(14)15)4-3-5-8(9)16-2/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyZVNWTFIYKLKZRU-UHFFFAOYSA-N
XLogP1.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-(2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 116810992
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
2-chloro-1-[2-(difluoromethyl)-3-methoxyphenyl]propan-1-one
CID 134619518
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43471727

Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxyethyl)-3-methoxybenzoic acid?
The IUPAC name of 2-(1-carboxyethyl)-3-methoxybenzoic acid (CID 12962431) is 2-(1-carboxyethyl)-3-methoxybenzoic acid.
What is the SMILES notation for 2-(1-carboxyethyl)-3-methoxybenzoic acid?
The canonical SMILES for 2-(1-carboxyethyl)-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1C(C)C(=O)O.
What is the InChIKey of 2-(1-carboxyethyl)-3-methoxybenzoic acid?
The InChIKey is ZVNWTFIYKLKZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-6(10(12)13)9-7(11(14)15)4-3-5-8(9)16-2/h3-6H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-carboxyethyl)-3-methoxybenzoic acid?
2-(1-carboxyethyl)-3-methoxybenzoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxyethyl)-3-methoxybenzoic acid is sourced from PubChem (CID 12962431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).