2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid

C12H19N3O3S — CID 170880284

IUPAC2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCOc1nc(N2CCCCC2)sc1CC(N)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-18-10-9(7-8(13)11(16)17)19-12(14-10)15-5-3-2-4-6-15/h8H,2-7,13H2,1H3,(H,16,17)
InChIKeyQSBXUISMDPCNGH-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid

2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 170880284) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid
PubChem CID170880284
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCOc1nc(N2CCCCC2)sc1CC(N)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-18-10-9(7-8(13)11(16)17)19-12(14-10)15-5-3-2-4-6-15/h8H,2-7,13H2,1H3,(H,16,17)
InChIKeyQSBXUISMDPCNGH-UHFFFAOYSA-N
XLogP1.10
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate
CID 170884980
methyl 2-amino-3-[4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propanoate
CID 170883561
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
ethyl 2-amino-3-[4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propanoate
CID 170884981
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
3-(4-ethoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propan-1-amine
CID 170879214
2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
CID 82662650
4-amino-N-(2-methoxyethyl)-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116663288
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
CID 97035612

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid (CID 170880284) is 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid is COc1nc(N2CCCCC2)sc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is QSBXUISMDPCNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-10-9(7-8(13)11(16)17)19-12(14-10)15-5-3-2-4-6-15/h8H,2-7,13H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid?
2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 170880284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).