(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

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Related Compounds

methyl (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate;hydrochloride
CID 169198353
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
(2S,4S)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 54235723
4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 67256146
4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 117270119
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(2R,4S)-4-hydroxy-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 28943404
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 70546491
(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 173047292
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436

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).