2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid

C9H17NO3 — CID 64616494

IUPAC2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid
SMILESCOCC(C)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-7(6-13-2)10-4-8(5-10)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyGQENGRMMMZCAAL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds5

About 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid

2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid (PubChem CID 64616494) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid
PubChem CID64616494
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid
SMILESCOCC(C)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-7(6-13-2)10-4-8(5-10)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyGQENGRMMMZCAAL-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-methoxypropan-2-yl)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-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid (CID 64616494) is 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid is COCC(C)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid?
The InChIKey is GQENGRMMMZCAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(6-13-2)10-4-8(5-10)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid?
2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).