2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid

C9H12N2O4 — CID 110836146

IUPAC2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid
SMILESCc1coc(CC(=O)N(C)CC(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-6-5-15-7(10-6)3-8(12)11(2)4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyCEHKEDCUVSGGRC-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.07
Rot. Bonds4

About 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid

2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid (PubChem CID 110836146) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid
PubChem CID110836146
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid
SMILESCc1coc(CC(=O)N(C)CC(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-6-5-15-7(10-6)3-8(12)11(2)4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyCEHKEDCUVSGGRC-UHFFFAOYSA-N
XLogP0.07
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid (CID 110836146) is 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid is Cc1coc(CC(=O)N(C)CC(=O)O)n1.
What is the InChIKey of 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid?
The InChIKey is CEHKEDCUVSGGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-5-15-7(10-6)3-8(12)11(2)4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110836146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).