3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid

C14H15NO3 — CID 117364713

IUPAC3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid
SMILESCc1noc2c(C(CC(=O)O)C3CC3)cccc12
InChIInChI=1S/C14H15NO3/c1-8-10-3-2-4-11(14(10)18-15-8)12(7-13(16)17)9-5-6-9/h2-4,9,12H,5-7H2,1H3,(H,16,17)
InChIKeyOFIKRTXBTKIVGL-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.10
Rot. Bonds4

About 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid

3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid (PubChem CID 117364713) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid
PubChem CID117364713
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid
SMILESCc1noc2c(C(CC(=O)O)C3CC3)cccc12
InChIInChI=1S/C14H15NO3/c1-8-10-3-2-4-11(14(10)18-15-8)12(7-13(16)17)9-5-6-9/h2-4,9,12H,5-7H2,1H3,(H,16,17)
InChIKeyOFIKRTXBTKIVGL-UHFFFAOYSA-N
XLogP3.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-6-yl)propanoic acid
CID 117364715
3-(1,2-benzoxazol-4-yl)-3-cyclopropylpropanoic acid
CID 117333889
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid
CID 117360163
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid (CID 117364713) is 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid is Cc1noc2c(C(CC(=O)O)C3CC3)cccc12.
What is the InChIKey of 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid?
The InChIKey is OFIKRTXBTKIVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-10-3-2-4-11(14(10)18-15-8)12(7-13(16)17)9-5-6-9/h2-4,9,12H,5-7H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid?
3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid is sourced from PubChem (CID 117364713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).