5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid

C11H15NO5 — CID 103925702

IUPAC5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid
SMILESCOC(C)(C)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-11(2,16-3)10(15)12-6-7-4-5-8(17-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyQPRPMHBMDYKCAB-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.02
Rot. Bonds5

About 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid

5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 103925702) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid
PubChem CID103925702
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid
SMILESCOC(C)(C)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-11(2,16-3)10(15)12-6-7-4-5-8(17-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyQPRPMHBMDYKCAB-UHFFFAOYSA-N
XLogP1.02
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-methyl-2-phenylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 79994106
5-[[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246277
5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246063
5-[[(2-methyl-2-piperazin-1-ylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 80550567
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730
5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]furan-2-carboxylic acid
CID 115359103
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid
CID 102696456
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid (CID 103925702) is 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid is COC(C)(C)C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is QPRPMHBMDYKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(2,16-3)10(15)12-6-7-4-5-8(17-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid?
5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103925702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).