(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride

C8H11ClN2O2S — CID 170164499

IUPAC(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H](c2nccs2)CN1
InChIInChI=1S/C8H10N2O2S.ClH/c11-8(12)6-3-5(4-10-6)7-9-1-2-13-7;/h1-2,5-6,10H,3-4H2,(H,11,12);1H/t5-,6-;/m0./s1
InChIKeyBLVCJOFFYLZXKZ-GEMLJDPKSA-N
MW234.71 g/mol
LogP1.10
Rot. Bonds2

About (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride

(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 170164499) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID170164499
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H](c2nccs2)CN1
InChIInChI=1S/C8H10N2O2S.ClH/c11-8(12)6-3-5(4-10-6)7-9-1-2-13-7;/h1-2,5-6,10H,3-4H2,(H,11,12);1H/t5-,6-;/m0./s1
InChIKeyBLVCJOFFYLZXKZ-GEMLJDPKSA-N
XLogP1.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 170164499) is (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@H](c2nccs2)CN1.
What is the InChIKey of (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is BLVCJOFFYLZXKZ-GEMLJDPKSA-N. The full InChI is InChI=1S/C8H10N2O2S.ClH/c11-8(12)6-3-5(4-10-6)7-9-1-2-13-7;/h1-2,5-6,10H,3-4H2,(H,11,12);1H/t5-,6-;/m0./s1.
What are the key properties of (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 234.71 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 170164499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).