(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid

C11H16N2O2S — CID 96925793

IUPAC(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
SMILESC[C@@H](c1nccs1)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H16N2O2S/c1-8(10-12-4-6-16-10)13-5-2-3-9(7-13)11(14)15/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyDEYRKDJKGNULEA-IUCAKERBSA-N
MW240.33 g/mol
LogP2.00
Rot. Bonds3

About (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid

(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 96925793) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID96925793
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
SMILESC[C@@H](c1nccs1)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H16N2O2S/c1-8(10-12-4-6-16-10)13-5-2-3-9(7-13)11(14)15/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyDEYRKDJKGNULEA-IUCAKERBSA-N
XLogP2.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
2-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79939420
1-[2-methylidene-3-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 170620347
4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
CID 71633476
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 98085621
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851
N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 64991097
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid (CID 96925793) is (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid is C[C@@H](c1nccs1)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is DEYRKDJKGNULEA-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(10-12-4-6-16-10)13-5-2-3-9(7-13)11(14)15/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 96925793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).