(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C11H14N2O3S — CID 95138021

IUPAC(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCc1csc(CN2C[C@@H](C(=O)O)CC2=O)n1
InChIInChI=1S/C11H14N2O3S/c1-2-8-6-17-9(12-8)5-13-4-7(11(15)16)3-10(13)14/h6-7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyJHRDWSSXHWDQNY-ZETCQYMHSA-N
MW254.31 g/mol
LogP1.14
Rot. Bonds4

About (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 95138021) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID95138021
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCc1csc(CN2C[C@@H](C(=O)O)CC2=O)n1
InChIInChI=1S/C11H14N2O3S/c1-2-8-6-17-9(12-8)5-13-4-7(11(15)16)3-10(13)14/h6-7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyJHRDWSSXHWDQNY-ZETCQYMHSA-N
XLogP1.14
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95123541
5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 50959352
(4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 97284135
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691126
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
5-oxo-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 83193478
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
1-[[4-(aminomethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691470
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192816

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 95138021) is (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is CCc1csc(CN2C[C@@H](C(=O)O)CC2=O)n1.
What is the InChIKey of (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JHRDWSSXHWDQNY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-8-6-17-9(12-8)5-13-4-7(11(15)16)3-10(13)14/h6-7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95138021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).