(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C9H11N3O3S — CID 62787051

IUPAC(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNc1nc(C(=O)N2CCC[C@H]2C(=O)O)cs1
InChIInChI=1S/C9H11N3O3S/c10-9-11-5(4-16-9)7(13)12-3-1-2-6(12)8(14)15/h4,6H,1-3H2,(H2,10,11)(H,14,15)/t6-/m0/s1
InChIKeyUNZOMMGBRYDHGU-LURJTMIESA-N
MW241.27 g/mol
LogP0.41
Rot. Bonds2

About (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 62787051) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID62787051
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNc1nc(C(=O)N2CCC[C@H]2C(=O)O)cs1
InChIInChI=1S/C9H11N3O3S/c10-9-11-5(4-16-9)7(13)12-3-1-2-6(12)8(14)15/h4,6H,1-3H2,(H2,10,11)(H,14,15)/t6-/m0/s1
InChIKeyUNZOMMGBRYDHGU-LURJTMIESA-N
XLogP0.41
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
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
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62789131
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 62786689
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
1-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 82033333
(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 79034814
(2R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371189
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 42795710

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 62787051) is (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is Nc1nc(C(=O)N2CCC[C@H]2C(=O)O)cs1.
What is the InChIKey of (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UNZOMMGBRYDHGU-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-9-11-5(4-16-9)7(13)12-3-1-2-6(12)8(14)15/h4,6H,1-3H2,(H2,10,11)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62787051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).