2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid

C13H20N2O6 — CID 10542208

IUPAC2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid
SMILESCC(C)(C)Cc1onc(OCC(=O)O)c1CC(N)C(=O)O
InChIInChI=1S/C13H20N2O6/c1-13(2,3)5-9-7(4-8(14)12(18)19)11(15-21-9)20-6-10(16)17/h8H,4-6,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPCUIJNKMRRQDSL-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.68
Rot. Bonds7

About 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid

2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid (PubChem CID 10542208) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid
PubChem CID10542208
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid
SMILESCC(C)(C)Cc1onc(OCC(=O)O)c1CC(N)C(=O)O
InChIInChI=1S/C13H20N2O6/c1-13(2,3)5-9-7(4-8(14)12(18)19)11(15-21-9)20-6-10(16)17/h8H,4-6,14H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPCUIJNKMRRQDSL-UHFFFAOYSA-N
XLogP0.68
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic 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 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid (CID 10542208) is 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid is CC(C)(C)Cc1onc(OCC(=O)O)c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid?
The InChIKey is PCUIJNKMRRQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-13(2,3)5-9-7(4-8(14)12(18)19)11(15-21-9)20-6-10(16)17/h8H,4-6,14H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid?
2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid has a molecular weight of 300.31 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 10542208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).