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

C9H11NO5 — CID 104607214

IUPAC5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCN(CCO)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C9H11NO5/c1-10(2-3-11)8(12)7-4-6(5-15-7)9(13)14/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyMKTXSCBMDWMMPU-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.04
Rot. Bonds4

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

5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607214) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607214
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCN(CCO)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C9H11NO5/c1-10(2-3-11)8(12)7-4-6(5-15-7)9(13)14/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyMKTXSCBMDWMMPU-UHFFFAOYSA-N
XLogP0.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid (CID 104607214) is 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid is CN(CCO)C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is MKTXSCBMDWMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-10(2-3-11)8(12)7-4-6(5-15-7)9(13)14/h4-5,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid?
5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).