2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid

C13H18N2O3S — CID 104576307

IUPAC2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2cncs2)CCCC1
InChIInChI=1S/C13H18N2O3S/c16-11(15-8-10-7-14-9-19-10)5-13(6-12(17)18)3-1-2-4-13/h7,9H,1-6,8H2,(H,15,16)(H,17,18)
InChIKeyXWGUBKATUQVHTP-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.18
Rot. Bonds6

About 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 104576307) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid
PubChem CID104576307
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2cncs2)CCCC1
InChIInChI=1S/C13H18N2O3S/c16-11(15-8-10-7-14-9-19-10)5-13(6-12(17)18)3-1-2-4-13/h7,9H,1-6,8H2,(H,15,16)(H,17,18)
InChIKeyXWGUBKATUQVHTP-UHFFFAOYSA-N
XLogP2.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid (CID 104576307) is 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCc2cncs2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is XWGUBKATUQVHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11(15-8-10-7-14-9-19-10)5-13(6-12(17)18)3-1-2-4-13/h7,9H,1-6,8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 282.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 104576307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).