(2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid

C10H14N2O2S — CID 96603287

IUPAC(2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@@H](C(=O)O)CCN1c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-2-8-7(9(13)14)3-5-12(8)10-11-4-6-15-10/h4,6-8H,2-3,5H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyASRWWXJIUYJHRP-JGVFFNPUSA-N
MW226.30 g/mol
LogP1.83
Rot. Bonds3

About (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid

(2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 96603287) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID96603287
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1[C@@H](C(=O)O)CCN1c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-2-8-7(9(13)14)3-5-12(8)10-11-4-6-15-10/h4,6-8H,2-3,5H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyASRWWXJIUYJHRP-JGVFFNPUSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid (CID 96603287) is (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid is CC[C@@H]1[C@@H](C(=O)O)CCN1c1nccs1.
What is the InChIKey of (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ASRWWXJIUYJHRP-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-8-7(9(13)14)3-5-12(8)10-11-4-6-15-10/h4,6-8H,2-3,5H2,1H3,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid?
(2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 96603287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).