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

C11H14N2O5 — CID 79021920

IUPAC5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5/c1-7(14)13(2)6-10(15)12-5-8-3-4-9(18-8)11(16)17/h3-4H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyNQLJHJYSUCOEMF-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.07
Rot. Bonds5

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

5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 79021920) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID79021920
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5/c1-7(14)13(2)6-10(15)12-5-8-3-4-9(18-8)11(16)17/h3-4H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyNQLJHJYSUCOEMF-UHFFFAOYSA-N
XLogP0.07
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119245685
5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 120527270
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 134706242
5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 103925702
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
2-[2-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]phenyl]acetic acid
CID 81318110
5-[[(2-methyl-2-phenylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 79994106
5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 90652793

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (CID 79021920) is 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is CC(=O)N(C)CC(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is NQLJHJYSUCOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(14)13(2)6-10(15)12-5-8-3-4-9(18-8)11(16)17/h3-4H,5-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79021920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).