2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid

C13H20N2O3S — CID 102659481

IUPAC2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid
SMILESCCCc1nc(CN2CC(C)(OCC(=O)O)C2)cs1
InChIInChI=1S/C13H20N2O3S/c1-3-4-11-14-10(7-19-11)5-15-8-13(2,9-15)18-6-12(16)17/h7H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyRSUJGHQUTQTTQP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.77
Rot. Bonds7

About 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102659481) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid
PubChem CID102659481
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid
SMILESCCCc1nc(CN2CC(C)(OCC(=O)O)C2)cs1
InChIInChI=1S/C13H20N2O3S/c1-3-4-11-14-10(7-19-11)5-15-8-13(2,9-15)18-6-12(16)17/h7H,3-6,8-9H2,1-2H3,(H,16,17)
InChIKeyRSUJGHQUTQTTQP-UHFFFAOYSA-N
XLogP1.77
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid (CID 102659481) is 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid is CCCc1nc(CN2CC(C)(OCC(=O)O)C2)cs1.
What is the InChIKey of 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is RSUJGHQUTQTTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-4-11-14-10(7-19-11)5-15-8-13(2,9-15)18-6-12(16)17/h7H,3-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 284.38 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).