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

C10H13NO3S — CID 115036151

IUPAC3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(C2CCOC2)s1
InChIInChI=1S/C10H13NO3S/c12-10(13)2-1-9-11-5-8(15-9)7-3-4-14-6-7/h5,7H,1-4,6H2,(H,12,13)
InChIKeyTUYCNFVKFQDGQX-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.66
Rot. Bonds4

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

3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 115036151) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID115036151
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(C2CCOC2)s1
InChIInChI=1S/C10H13NO3S/c12-10(13)2-1-9-11-5-8(15-9)7-3-4-14-6-7/h5,7H,1-4,6H2,(H,12,13)
InChIKeyTUYCNFVKFQDGQX-UHFFFAOYSA-N
XLogP1.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115044288
5-[(3R)-oxolan-3-yl]-1,3-thiazol-2-amine
CID 124595055
5-[(3S)-oxolan-3-yl]-1,3-thiazol-2-amine
CID 124595056
3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanoic acid
CID 114352633
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-3-pyrimidin-2-ylpropanamide
CID 167829767
N-ethyl-5-(oxan-3-yl)-1,3-thiazol-2-amine
CID 116811952
3-[3-bromo-4-(oxolan-3-yl)phenyl]propanoic acid
CID 117481669
3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
CID 129462871
2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
CID 115026773
3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115034902
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771017

Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid (CID 115036151) is 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid is O=C(O)CCc1ncc(C2CCOC2)s1.
What is the InChIKey of 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is TUYCNFVKFQDGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-10(13)2-1-9-11-5-8(15-9)7-3-4-14-6-7/h5,7H,1-4,6H2,(H,12,13).
What are the key properties of 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid?
3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxolan-3-yl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 115036151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).