3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid

C11H15NO3S — CID 115044288

IUPAC3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(C2CCCCO2)s1
InChIInChI=1S/C11H15NO3S/c13-11(14)5-4-10-12-7-9(16-10)8-3-1-2-6-15-8/h7-8H,1-6H2,(H,13,14)
InChIKeyIQBHQYVRRGITRT-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.40
Rot. Bonds4

About 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid

3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 115044288) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID115044288
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(C2CCCCO2)s1
InChIInChI=1S/C11H15NO3S/c13-11(14)5-4-10-12-7-9(16-10)8-3-1-2-6-15-8/h7-8H,1-6H2,(H,13,14)
InChIKeyIQBHQYVRRGITRT-UHFFFAOYSA-N
XLogP2.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115036151
3-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 115091042
4-[2-[[5-(oxan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzoic acid
CID 167977589
(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 166310640
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
CID 65328486
N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide
CID 167796681
3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82424704
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
CID 105480301
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115035808
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771017

Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid (CID 115044288) is 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid is O=C(O)CCc1ncc(C2CCCCO2)s1.
What is the InChIKey of 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is IQBHQYVRRGITRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-11(14)5-4-10-12-7-9(16-10)8-3-1-2-6-15-8/h7-8H,1-6H2,(H,13,14).
What are the key properties of 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid?
3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 241.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 115044288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).