5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid

C13H17NO4 — CID 104607621

IUPAC5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C13H17NO4/c1-2-10(5-8-3-4-8)14-12(15)11-6-9(7-18-11)13(16)17/h6-8,10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyQZHNEVZVEDNOTJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.29
Rot. Bonds6

About 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid

5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607621) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607621
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C13H17NO4/c1-2-10(5-8-3-4-8)14-12(15)11-6-9(7-18-11)13(16)17/h6-8,10H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyQZHNEVZVEDNOTJ-UHFFFAOYSA-N
XLogP2.29
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385031
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
N-(1-cyclopropylbutan-2-yl)-5-methyl-2-(methylamino)benzamide
CID 63994027
N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 78958436
4-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-hydroxybenzoic acid
CID 63996353
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid
CID 63996569
5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 113434091
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
CID 113288604
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid (CID 104607621) is 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid is CCC(CC1CC1)NC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is QZHNEVZVEDNOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-10(5-8-3-4-8)14-12(15)11-6-9(7-18-11)13(16)17/h6-8,10H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid?
5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).