3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid

C8H10N2O3S — CID 66662004

IUPAC3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2nccs2)C1
InChIInChI=1S/C8H10N2O3S/c11-7(12)10-3-1-8(13,5-10)6-9-2-4-14-6/h2,4,13H,1,3,5H2,(H,11,12)
InChIKeyPYPUWNQWLQFCCG-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.71
Rot. Bonds1

About 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid

3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 66662004) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID66662004
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2nccs2)C1
InChIInChI=1S/C8H10N2O3S/c11-7(12)10-3-1-8(13,5-10)6-9-2-4-14-6/h2,4,13H,1,3,5H2,(H,11,12)
InChIKeyPYPUWNQWLQFCCG-UHFFFAOYSA-N
XLogP0.71
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 172701138
[3-Hydroxy-3-(1,3-thiazol-2-yl)propyl]-methylcarbamic acid
CID 17931140
4-Hydroxy-4-(thiazol-2-yl)piperidine-1-carboxylic acid tert-butyl ester
CID 57423796
Tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 57855147
3-(1,3-Thiazol-2-yl)pyrrolidin-3-ol
CID 57855172
Tert-butyl 3-(2-hydroxyethoxy)-3-(thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58513754
Tert-butyl 3-hydroxy-3-(thiazol-2-yl)pyrrolidine-1-carboxylate
CID 59298225
tert-butyl (3S)-3-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 59543997
tert-butyl (3S)-3-[(R)-hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 59544006
tert-butyl (3S)-3-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 66752162
(3S)-3-[(R)-hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylic acid
CID 66752722
(3S)-3-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylic acid
CID 66752723

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid (CID 66662004) is 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2nccs2)C1.
What is the InChIKey of 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is PYPUWNQWLQFCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-7(12)10-3-1-8(13,5-10)6-9-2-4-14-6/h2,4,13H,1,3,5H2,(H,11,12).
What are the key properties of 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66662004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).