1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C11H15N3O3S — CID 55166142

IUPAC1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H15N3O3S/c1-6-7(18-10(12)13-6)8(15)14-4-3-11(2,5-14)9(16)17/h3-5H2,1-2H3,(H2,12,13)(H,16,17)
InChIKeyKIBKVVYVIBTAOG-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.97
Rot. Bonds2

About 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 55166142) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID55166142
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H15N3O3S/c1-6-7(18-10(12)13-6)8(15)14-4-3-11(2,5-14)9(16)17/h3-5H2,1-2H3,(H2,12,13)(H,16,17)
InChIKeyKIBKVVYVIBTAOG-UHFFFAOYSA-N
XLogP0.97
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123482
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219312
(3R)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696317
(3S)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696319
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
(3R)-1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695453
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 99608759
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 62792932
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62793634
3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529180
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409280
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 55166142) is 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is Cc1nc(N)sc1C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is KIBKVVYVIBTAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-7(18-10(12)13-6)8(15)14-4-3-11(2,5-14)9(16)17/h3-5H2,1-2H3,(H2,12,13)(H,16,17).
What are the key properties of 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).