3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid

C8H10N2O5 — CID 10398313

IUPAC3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(CC(N)C(=O)O)c1C(=O)O
InChIInChI=1S/C8H10N2O5/c1-3-6(8(13)14)5(10-15-3)2-4(9)7(11)12/h4H,2,9H2,1H3,(H,11,12)(H,13,14)
InChIKeySONBFBFTTGNDLW-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.36
Rot. Bonds4

About 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 10398313) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID10398313
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(CC(N)C(=O)O)c1C(=O)O
InChIInChI=1S/C8H10N2O5/c1-3-6(8(13)14)5(10-15-3)2-4(9)7(11)12/h4H,2,9H2,1H3,(H,11,12)(H,13,14)
InChIKeySONBFBFTTGNDLW-UHFFFAOYSA-N
XLogP-0.36
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 10398313) is 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(CC(N)C(=O)O)c1C(=O)O.
What is the InChIKey of 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is SONBFBFTTGNDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-3-6(8(13)14)5(10-15-3)2-4(9)7(11)12/h4H,2,9H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 10398313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).