3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

C9H12N2O4 — CID 20586201

IUPAC3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(C)CCC(=O)O)no1
InChIInChI=1S/C9H12N2O4/c1-6-5-7(10-15-6)9(14)11(2)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZWQRDZLWUKGOAA-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.53
Rot. Bonds4

About 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (PubChem CID 20586201) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
PubChem CID20586201
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(C)CCC(=O)O)no1
InChIInChI=1S/C9H12N2O4/c1-6-5-7(10-15-6)9(14)11(2)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZWQRDZLWUKGOAA-UHFFFAOYSA-N
XLogP0.53
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (CID 20586201) is 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N(C)CCC(=O)O)no1.
What is the InChIKey of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The InChIKey is ZWQRDZLWUKGOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-5-7(10-15-6)9(14)11(2)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 20586201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).