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

C8H13NO3 — CID 105434695

IUPAC2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
SMILESCC(C)C1=NOC(CC(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-5(2)7-3-6(12-9-7)4-8(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyUYXUCFMDWZGQDY-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.26
Rot. Bonds3

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

2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid (PubChem CID 105434695) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
PubChem CID105434695
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
SMILESCC(C)C1=NOC(CC(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-5(2)7-3-6(12-9-7)4-8(10)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyUYXUCFMDWZGQDY-UHFFFAOYSA-N
XLogP1.26
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid (CID 105434695) is 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid is CC(C)C1=NOC(CC(=O)O)C1.
What is the InChIKey of 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
The InChIKey is UYXUCFMDWZGQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)7-3-6(12-9-7)4-8(10)11/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid has a molecular weight of 171.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 105434695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).