5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid

C9H12N2O4 — CID 62205327

IUPAC5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
SMILESCNC(=O)C(C)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C9H12N2O4/c1-5(8(12)10-2)11-7-4-3-6(15-7)9(13)14/h3-5,11H,1-2H3,(H,10,12)(H,13,14)
InChIKeyCXJHIBDNOWFRNZ-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.52
Rot. Bonds4

About 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid

5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid (PubChem CID 62205327) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
PubChem CID62205327
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
SMILESCNC(=O)C(C)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C9H12N2O4/c1-5(8(12)10-2)11-7-4-3-6(15-7)9(13)14/h3-5,11H,1-2H3,(H,10,12)(H,13,14)
InChIKeyCXJHIBDNOWFRNZ-UHFFFAOYSA-N
XLogP0.52
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
CID 106350355
5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
CID 62205149
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503
5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
CID 62844765
5-(octan-2-ylamino)furan-2-carboxylic acid
CID 62206373
5-(dicyclopropylmethylamino)furan-2-carboxylic acid
CID 62206725
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid?
The IUPAC name of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid (CID 62205327) is 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid is CNC(=O)C(C)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid?
The InChIKey is CXJHIBDNOWFRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(8(12)10-2)11-7-4-3-6(15-7)9(13)14/h3-5,11H,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid?
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid is sourced from PubChem (CID 62205327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).