5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C9H14N2O4 — CID 61397882

IUPAC5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCN(CCO)Cc1cc(C(=O)O)no1
InChIInChI=1S/C9H14N2O4/c1-2-11(3-4-12)6-7-5-8(9(13)14)10-15-7/h5,12H,2-4,6H2,1H3,(H,13,14)
InChIKeyMUDPZLOJZRTIGN-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.19
Rot. Bonds6

About 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397882) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397882
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCN(CCO)Cc1cc(C(=O)O)no1
InChIInChI=1S/C9H14N2O4/c1-2-11(3-4-12)6-7-5-8(9(13)14)10-15-7/h5,12H,2-4,6H2,1H3,(H,13,14)
InChIKeyMUDPZLOJZRTIGN-UHFFFAOYSA-N
XLogP0.19
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 61397882) is 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CCN(CCO)Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is MUDPZLOJZRTIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-11(3-4-12)6-7-5-8(9(13)14)10-15-7/h5,12H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).