6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid

C9H9NO6 — CID 3010944

IUPAC6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCNC(=O)c1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C9H9NO6/c1-2-10-8(13)5-3-4(11)6(12)7(16-5)9(14)15/h3,12H,2H2,1H3,(H,10,13)(H,14,15)
InChIKeyPUVCLGONOUXELV-UHFFFAOYSA-N
MW227.17 g/mol
LogP-0.21
Rot. Bonds3

About 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid

6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 3010944) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID3010944
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCNC(=O)c1cc(=O)c(O)c(C(=O)O)o1
InChIInChI=1S/C9H9NO6/c1-2-10-8(13)5-3-4(11)6(12)7(16-5)9(14)15/h3,12H,2H2,1H3,(H,10,13)(H,14,15)
InChIKeyPUVCLGONOUXELV-UHFFFAOYSA-N
XLogP-0.21
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate
CID 3035275
4H-Pyran-2-carboxylic acid, 5-hydroxy-6-(((2-hydroxyethyl)amino)methyl)-4-oxo-
CID 3050499
4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate
CID 3050573
6-(Diethylcarbamoyl)-3-hydroxy-4-oxo-pyran-2-carboxylic acid
CID 3010945
6-(Methylcarbamoyl)-4-oxopyran-2-carboxylic acid
CID 21249826
6-(2-Aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 54696515
N-(2-aminoethyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 54696516
6-(Aminomethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
CID 59585200
6-(2-Aminoethylcarbamoyl)-3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid
CID 59585254
6-[[(3R)-3-carboxybutyl]carbamoyl]-4-oxopyran-2-carboxylic acid
CID 88215660
3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide
CID 89078883
6-[(3-Amino-3-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89080858

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid (CID 3010944) is 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid is CCNC(=O)c1cc(=O)c(O)c(C(=O)O)o1.
What is the InChIKey of 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is PUVCLGONOUXELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO6/c1-2-10-8(13)5-3-4(11)6(12)7(16-5)9(14)15/h3,12H,2H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid?
6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 227.17 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 3010944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).