2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid

C13H19N3O3 — CID 107142476

IUPAC2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)Oc1ncccc1NC1(CC(=O)O)CNC1
InChIInChI=1S/C13H19N3O3/c1-9(2)19-12-10(4-3-5-15-12)16-13(6-11(17)18)7-14-8-13/h3-5,9,14,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHWGGWFVIECXMHN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.10
Rot. Bonds6

About 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid

2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107142476) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid
PubChem CID107142476
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)Oc1ncccc1NC1(CC(=O)O)CNC1
InChIInChI=1S/C13H19N3O3/c1-9(2)19-12-10(4-3-5-15-12)16-13(6-11(17)18)7-14-8-13/h3-5,9,14,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHWGGWFVIECXMHN-UHFFFAOYSA-N
XLogP1.10
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid (CID 107142476) is 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid is CC(C)Oc1ncccc1NC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is HWGGWFVIECXMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)19-12-10(4-3-5-15-12)16-13(6-11(17)18)7-14-8-13/h3-5,9,14,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid?
2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-propan-2-yloxy-3-pyridinyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).