2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid

C10H13NO4 — CID 83834960

IUPAC2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid
SMILESCOC(=O)c1cc(C)c(C)n1CC(=O)O
InChIInChI=1S/C10H13NO4/c1-6-4-8(10(14)15-3)11(7(6)2)5-9(12)13/h4H,5H2,1-3H3,(H,12,13)
InChIKeyMEOSIORQPQAIOW-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.98
Rot. Bonds3

About 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid

2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid (PubChem CID 83834960) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid
PubChem CID83834960
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid
SMILESCOC(=O)c1cc(C)c(C)n1CC(=O)O
InChIInChI=1S/C10H13NO4/c1-6-4-8(10(14)15-3)11(7(6)2)5-9(12)13/h4H,5H2,1-3H3,(H,12,13)
InChIKeyMEOSIORQPQAIOW-UHFFFAOYSA-N
XLogP0.98
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxycarbonyl-1,3-dimethylpyrrole-2-carboxylic acid
CID 13179844
dimethyl 1-benzyl-5-methylpyrrole-2,4-dicarboxylate
CID 11818528
methyl 4-acetyl-1-benzyl-5-methylpyrrole-2-carboxylate
CID 12027879
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
2-(4-methoxycarbonyl-2-methylbenzimidazol-1-yl)acetic acid
CID 166152409
methyl 3,5-dimethyl-1-(2-oxopropyl)pyrrole-2-carboxylate
CID 112710159
2-(5-methoxycarbonyl-1-methylpyrrol-3-yl)acetic acid
CID 83670551
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 6488323
2-(4-chloro-3-methoxycarbonyl-5-methylpyrazol-1-yl)acetic acid
CID 167747654
dimethyl 1-prop-2-ynylpyrazole-3,5-dicarboxylate
CID 155292872
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid?
The IUPAC name of 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid (CID 83834960) is 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid?
The canonical SMILES for 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid is COC(=O)c1cc(C)c(C)n1CC(=O)O.
What is the InChIKey of 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid?
The InChIKey is MEOSIORQPQAIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6-4-8(10(14)15-3)11(7(6)2)5-9(12)13/h4H,5H2,1-3H3,(H,12,13).
What are the key properties of 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid?
2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxycarbonyl-2,3-dimethylpyrrol-1-yl)acetic acid is sourced from PubChem (CID 83834960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).