2-methyl-3-(1,3-oxazol-5-yl)propanoic acid

C7H9NO3 — CID 82595525

IUPAC2-methyl-3-(1,3-oxazol-5-yl)propanoic acid
SMILESCC(Cc1cnco1)C(=O)O
InChIInChI=1S/C7H9NO3/c1-5(7(9)10)2-6-3-8-4-11-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyTXRKGYACDPFSKB-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.94
Rot. Bonds3

About 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid

2-methyl-3-(1,3-oxazol-5-yl)propanoic acid (PubChem CID 82595525) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1,3-oxazol-5-yl)propanoic acid
PubChem CID82595525
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-methyl-3-(1,3-oxazol-5-yl)propanoic acid
SMILESCC(Cc1cnco1)C(=O)O
InChIInChI=1S/C7H9NO3/c1-5(7(9)10)2-6-3-8-4-11-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyTXRKGYACDPFSKB-UHFFFAOYSA-N
XLogP0.94
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid (CID 82595525) is 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid is CC(Cc1cnco1)C(=O)O.
What is the InChIKey of 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid?
The InChIKey is TXRKGYACDPFSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(7(9)10)2-6-3-8-4-11-6/h3-5H,2H2,1H3,(H,9,10).
What are the key properties of 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid?
2-methyl-3-(1,3-oxazol-5-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 82595525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).