2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid

C9H15NO3 — CID 84660143

IUPAC2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESCC(C)CC1CN=C(CC(=O)O)O1
InChIInChI=1S/C9H15NO3/c1-6(2)3-7-5-10-8(13-7)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyGQHNBVQJEKBNBR-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.30
Rot. Bonds4

About 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid

2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (PubChem CID 84660143) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
PubChem CID84660143
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
SMILESCC(C)CC1CN=C(CC(=O)O)O1
InChIInChI=1S/C9H15NO3/c1-6(2)3-7-5-10-8(13-7)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyGQHNBVQJEKBNBR-UHFFFAOYSA-N
XLogP1.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid (CID 84660143) is 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is CC(C)CC1CN=C(CC(=O)O)O1.
What is the InChIKey of 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
The InChIKey is GQHNBVQJEKBNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)3-7-5-10-8(13-7)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid?
2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 84660143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).