(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid

C11H15N3O3S — CID 79034814

IUPAC(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESNc1nc(CC(=O)N2CCCC[C@@H]2C(=O)O)cs1
InChIInChI=1S/C11H15N3O3S/c12-11-13-7(6-18-11)5-9(15)14-4-2-1-3-8(14)10(16)17/h6,8H,1-5H2,(H2,12,13)(H,16,17)/t8-/m1/s1
InChIKeyNWDHSYJJYNAUEO-MRVPVSSYSA-N
MW269.33 g/mol
LogP0.73
Rot. Bonds3

About (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 79034814) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID79034814
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESNc1nc(CC(=O)N2CCCC[C@@H]2C(=O)O)cs1
InChIInChI=1S/C11H15N3O3S/c12-11-13-7(6-18-11)5-9(15)14-4-2-1-3-8(14)10(16)17/h6,8H,1-5H2,(H2,12,13)(H,16,17)/t8-/m1/s1
InChIKeyNWDHSYJJYNAUEO-MRVPVSSYSA-N
XLogP0.73
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
2-(2-amino-1,3-thiazol-4-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634520
3-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 62800180
(2S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-2-carboxylic acid
CID 129415522
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 78915899
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217
methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 79833335
1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 23968193

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid (CID 79034814) is (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid is Nc1nc(CC(=O)N2CCCC[C@@H]2C(=O)O)cs1.
What is the InChIKey of (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is NWDHSYJJYNAUEO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-11-13-7(6-18-11)5-9(15)14-4-2-1-3-8(14)10(16)17/h6,8H,1-5H2,(H2,12,13)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).