2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid

C7H11NO4 — CID 118665990

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)C1=NCCO1
InChIInChI=1S/C7H11NO4/c1-11-4-5(7(9)10)6-8-2-3-12-6/h5H,2-4H2,1H3,(H,9,10)
InChIKeyIKMACIVNSUMOEL-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.24
Rot. Bonds4

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid

2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid (PubChem CID 118665990) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid
PubChem CID118665990
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)C1=NCCO1
InChIInChI=1S/C7H11NO4/c1-11-4-5(7(9)10)6-8-2-3-12-6/h5H,2-4H2,1H3,(H,9,10)
InChIKeyIKMACIVNSUMOEL-UHFFFAOYSA-N
XLogP-0.24
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid (CID 118665990) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid is COCC(C(=O)O)C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid?
The InChIKey is IKMACIVNSUMOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-11-4-5(7(9)10)6-8-2-3-12-6/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid?
2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 118665990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).