5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid

C15H20N2O4 — CID 61480904

IUPAC5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC(C2CC2)C2CC2)cc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-8-12(14(18)19)6-11(21-8)7-16-15(20)17-13(9-2-3-9)10-4-5-10/h6,9-10,13H,2-5,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyLGADNPOTRXOCOJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.27
Rot. Bonds6

About 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid

5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61480904) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61480904
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC(C2CC2)C2CC2)cc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-8-12(14(18)19)6-11(21-8)7-16-15(20)17-13(9-2-3-9)10-4-5-10/h6,9-10,13H,2-5,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyLGADNPOTRXOCOJ-UHFFFAOYSA-N
XLogP2.27
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
2-methyl-5-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]furan-3-carboxylic acid
CID 61465569
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 65048515
5-[(2,2-difluoroethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 115408082
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298

Frequently Asked Questions

What is the IUPAC name of 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid (CID 61480904) is 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)NC(C2CC2)C2CC2)cc1C(=O)O.
What is the InChIKey of 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is LGADNPOTRXOCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-8-12(14(18)19)6-11(21-8)7-16-15(20)17-13(9-2-3-9)10-4-5-10/h6,9-10,13H,2-5,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61480904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).