(2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate

C13H19N3O3S — CID 58032804

IUPAC(2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate
SMILESNC(=O)COC(=O)CCC1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c14-11(17)9-19-12(18)2-1-10-3-6-16(7-4-10)13-15-5-8-20-13/h5,8,10H,1-4,6-7,9H2,(H2,14,17)
InChIKeyPICOVJWPNLKJSG-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.17
Rot. Bonds6

About (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate

(2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate (PubChem CID 58032804) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate
PubChem CID58032804
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate
SMILESNC(=O)COC(=O)CCC1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N3O3S/c14-11(17)9-19-12(18)2-1-10-3-6-16(7-4-10)13-15-5-8-20-13/h5,8,10H,1-4,6-7,9H2,(H2,14,17)
InChIKeyPICOVJWPNLKJSG-UHFFFAOYSA-N
XLogP1.17
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate (CID 58032804) is (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate is NC(=O)COC(=O)CCC1CCN(c2nccs2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate?
The InChIKey is PICOVJWPNLKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-11(17)9-19-12(18)2-1-10-3-6-16(7-4-10)13-15-5-8-20-13/h5,8,10H,1-4,6-7,9H2,(H2,14,17).
What are the key properties of (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate?
(2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate has a molecular weight of 297.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanoate is sourced from PubChem (CID 58032804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).