(2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid

C14H15NO5 — CID 174760192

IUPAC(2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid
SMILESCOc1cc(CN2C(=O)C=C[C@@H]2C(=O)O)cc(OC)c1
InChIInChI=1S/C14H15NO5/c1-19-10-5-9(6-11(7-10)20-2)8-15-12(14(17)18)3-4-13(15)16/h3-7,12H,8H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyIJMKWHXNHVTLQF-GFCCVEGCSA-N
MW277.28 g/mol
LogP1.06
Rot. Bonds5

About (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid

(2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid (PubChem CID 174760192) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid
PubChem CID174760192
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid
SMILESCOc1cc(CN2C(=O)C=C[C@@H]2C(=O)O)cc(OC)c1
InChIInChI=1S/C14H15NO5/c1-19-10-5-9(6-11(7-10)20-2)8-15-12(14(17)18)3-4-13(15)16/h3-7,12H,8H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyIJMKWHXNHVTLQF-GFCCVEGCSA-N
XLogP1.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid (CID 174760192) is (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid is COc1cc(CN2C(=O)C=C[C@@H]2C(=O)O)cc(OC)c1.
What is the InChIKey of (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid?
The InChIKey is IJMKWHXNHVTLQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO5/c1-19-10-5-9(6-11(7-10)20-2)8-15-12(14(17)18)3-4-13(15)16/h3-7,12H,8H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid?
(2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxo-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 174760192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).