methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate

C11H17N3O3S — CID 59406827

IUPACmethyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC[C@@H](N)[C@H](OC)C2)s1
InChIInChI=1S/C11H17N3O3S/c1-16-8-6-14(4-3-7(8)12)11-13-5-9(18-11)10(15)17-2/h5,7-8H,3-4,6,12H2,1-2H3/t7-,8-/m1/s1
InChIKeyGZTQVROPXLFVBN-HTQZYQBOSA-N
MW271.34 g/mol
LogP0.48
Rot. Bonds3

About methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate

methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 59406827) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID59406827
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC[C@@H](N)[C@H](OC)C2)s1
InChIInChI=1S/C11H17N3O3S/c1-16-8-6-14(4-3-7(8)12)11-13-5-9(18-11)10(15)17-2/h5,7-8H,3-4,6,12H2,1-2H3/t7-,8-/m1/s1
InChIKeyGZTQVROPXLFVBN-HTQZYQBOSA-N
XLogP0.48
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 59406827) is methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CC[C@@H](N)[C@H](OC)C2)s1.
What is the InChIKey of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is GZTQVROPXLFVBN-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-16-8-6-14(4-3-7(8)12)11-13-5-9(18-11)10(15)17-2/h5,7-8H,3-4,6,12H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59406827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).