2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid

C14H22N2O4 — CID 61428919

IUPAC2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(C)CCC(C)C)cc1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-9(2)5-6-16(4)14(19)15-8-11-7-12(13(17)18)10(3)20-11/h7,9H,5-6,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLCDCRTPQWYNZNR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.47
Rot. Bonds6

About 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 61428919) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID61428919
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(C)CCC(C)C)cc1C(=O)O
InChIInChI=1S/C14H22N2O4/c1-9(2)5-6-16(4)14(19)15-8-11-7-12(13(17)18)10(3)20-11/h7,9H,5-6,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLCDCRTPQWYNZNR-UHFFFAOYSA-N
XLogP2.47
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
2-methyl-5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]furan-3-carboxylic acid
CID 61455879
5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113382102
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]benzoic acid
CID 61428757
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226798
2-methyl-5-[[methyl(3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 43570316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid (CID 61428919) is 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)N(C)CCC(C)C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is LCDCRTPQWYNZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)5-6-16(4)14(19)15-8-11-7-12(13(17)18)10(3)20-11/h7,9H,5-6,8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61428919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).