(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C14H20N2O3S — CID 119371482

IUPAC(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-8-10(20-13(15-8)14(2,3)4)11(17)16-7-5-6-9(16)12(18)19/h9H,5-7H2,1-4H3,(H,18,19)/t9-/m1/s1
InChIKeyXLFWFKSMEHIXLE-SECBINFHSA-N
MW296.39 g/mol
LogP2.44
Rot. Bonds2

About (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119371482) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119371482
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-8-10(20-13(15-8)14(2,3)4)11(17)16-7-5-6-9(16)12(18)19/h9H,5-7H2,1-4H3,(H,18,19)/t9-/m1/s1
InChIKeyXLFWFKSMEHIXLE-SECBINFHSA-N
XLogP2.44
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176258
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43092215
(2S)-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366168
1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356399
(2S)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124688096
[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 49017741
1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 65206215
1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119137755
(2S)-1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365970
tert-butyl (2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 80998731
1-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 49014252
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 119371482) is (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XLFWFKSMEHIXLE-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-10(20-13(15-8)14(2,3)4)11(17)16-7-5-6-9(16)12(18)19/h9H,5-7H2,1-4H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).