4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid

C12H13NO5 — CID 117053782

IUPAC4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCNC1=O
InChIInChI=1S/C12H13NO5/c1-17-8-3-2-7(12(15)16)6-10(8)18-9-4-5-13-11(9)14/h2-3,6,9H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyQQIAZRGPPXPNOQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.66
Rot. Bonds4

About 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid

4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid (PubChem CID 117053782) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
PubChem CID117053782
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCNC1=O
InChIInChI=1S/C12H13NO5/c1-17-8-3-2-7(12(15)16)6-10(8)18-9-4-5-13-11(9)14/h2-3,6,9H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyQQIAZRGPPXPNOQ-UHFFFAOYSA-N
XLogP0.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053316
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
3-(1,1-dioxothietan-3-yl)oxy-4-methoxybenzoic acid
CID 117433322
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 67487822
3-(1,1-dioxothiolan-3-yl)oxy-4-methoxybenzoic acid
CID 54914559
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053862
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
The IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid (CID 117053782) is 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
The canonical SMILES for 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid is COc1ccc(C(=O)O)cc1OC1CCNC1=O.
What is the InChIKey of 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
The InChIKey is QQIAZRGPPXPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-17-8-3-2-7(12(15)16)6-10(8)18-9-4-5-13-11(9)14/h2-3,6,9H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid has a molecular weight of 251.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid is sourced from PubChem (CID 117053782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).