2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid

C11H15N3O4S — CID 114181709

IUPAC2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4S/c1-6(9(15)16)7-3-14(4-7)10(17)12-2-8-5-19-11(18)13-8/h5-7H,2-4H2,1H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyRPYBQOAENOKOOH-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.30
Rot. Bonds4

About 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 114181709) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID114181709
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4S/c1-6(9(15)16)7-3-14(4-7)10(17)12-2-8-5-19-11(18)13-8/h5-7H,2-4H2,1H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyRPYBQOAENOKOOH-UHFFFAOYSA-N
XLogP0.30
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid (CID 114181709) is 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is RPYBQOAENOKOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6(9(15)16)7-3-14(4-7)10(17)12-2-8-5-19-11(18)13-8/h5-7H,2-4H2,1H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 114181709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).