(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid

C11H14N2O4S — CID 119365625

IUPAC(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCc1nc(C(=O)N2CCC[C@H]2C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c1-17-5-9-12-7(6-18-9)10(14)13-4-2-3-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyMFWWFXKGOUEMPL-QMMMGPOBSA-N
MW270.31 g/mol
LogP0.98
Rot. Bonds4

About (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119365625) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119365625
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOCc1nc(C(=O)N2CCC[C@H]2C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c1-17-5-9-12-7(6-18-9)10(14)13-4-2-3-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyMFWWFXKGOUEMPL-QMMMGPOBSA-N
XLogP0.98
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371872
4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216541
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
1-[2-[(2-methoxyacetyl)amino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 82033329
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
(2R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371189
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569150
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735811
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95972666
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 119365625) is (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid is COCc1nc(C(=O)N2CCC[C@H]2C(=O)O)cs1.
What is the InChIKey of (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MFWWFXKGOUEMPL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-17-5-9-12-7(6-18-9)10(14)13-4-2-3-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).