5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid

C10H11NO4 — CID 104607507

IUPAC5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
SMILESCC1CC1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C10H11NO4/c1-5-2-7(5)11-9(12)8-3-6(4-15-8)10(13)14/h3-5,7H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyAQFYTDGWRXOXEM-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.12
Rot. Bonds3

About 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid

5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607507) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607507
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
SMILESCC1CC1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C10H11NO4/c1-5-2-7(5)11-9(12)8-3-6(4-15-8)10(13)14/h3-5,7H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyAQFYTDGWRXOXEM-UHFFFAOYSA-N
XLogP1.12
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dimethylcyclopentyl)carbamoyl]furan-3-carboxylic acid
CID 104607667
5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
CID 104623373
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
5-[[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 167847736
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369563
5-(3,5-dimethylpiperidine-1-carbonyl)furan-3-carboxylic acid
CID 104607104
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
5-acetylfuran-3-carboxylic acid
CID 10654434
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 114539304

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid (CID 104607507) is 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid is CC1CC1NC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is AQFYTDGWRXOXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-5-2-7(5)11-9(12)8-3-6(4-15-8)10(13)14/h3-5,7H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid?
5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).