(2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C11H15N3O3S — CID 119914295

IUPAC(2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCc1csc(NC(=O)CN2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-7-6-18-11(12-7)13-9(15)5-14-4-2-3-8(14)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)/t8-/m1/s1
InChIKeyGDJGHCLSZJLZAY-MRVPVSSYSA-N
MW269.33 g/mol
LogP0.94
Rot. Bonds4

About (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119914295) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119914295
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCc1csc(NC(=O)CN2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-7-6-18-11(12-7)13-9(15)5-14-4-2-3-8(14)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)/t8-/m1/s1
InChIKeyGDJGHCLSZJLZAY-MRVPVSSYSA-N
XLogP0.94
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119914295) is (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is Cc1csc(NC(=O)CN2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GDJGHCLSZJLZAY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-6-18-11(12-7)13-9(15)5-14-4-2-3-8(14)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)(H,12,13,15)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119914295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).