5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid

C14H22N2O5 — CID 65048515

IUPAC5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCC(NC(=O)NCc1cc(C(=O)O)c(C)o1)C(C)C
InChIInChI=1S/C14H22N2O5/c1-8(2)12(7-20-4)16-14(19)15-6-10-5-11(13(17)18)9(3)21-10/h5,8,12H,6-7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyKTUGFRGBNMEFGK-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.76
Rot. Bonds7

About 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 65048515) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID65048515
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCC(NC(=O)NCc1cc(C(=O)O)c(C)o1)C(C)C
InChIInChI=1S/C14H22N2O5/c1-8(2)12(7-20-4)16-14(19)15-6-10-5-11(13(17)18)9(3)21-10/h5,8,12H,6-7H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyKTUGFRGBNMEFGK-UHFFFAOYSA-N
XLogP1.76
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 65048515) is 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid is COCC(NC(=O)NCc1cc(C(=O)O)c(C)o1)C(C)C.
What is the InChIKey of 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is KTUGFRGBNMEFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-8(2)12(7-20-4)16-14(19)15-6-10-5-11(13(17)18)9(3)21-10/h5,8,12H,6-7H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 65048515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).