2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid

C9H17NO4 — CID 102659347

IUPAC2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(O)CN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H17NO4/c1-7(11)3-10-5-9(2,6-10)14-4-8(12)13/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyYBVNPJWOORIPBJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.46
Rot. Bonds5

About 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659347) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659347
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(O)CN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H17NO4/c1-7(11)3-10-5-9(2,6-10)14-4-8(12)13/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyYBVNPJWOORIPBJ-UHFFFAOYSA-N
XLogP-0.46
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102659604
2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
CID 102659384
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659746
2-[1-(1-methoxy-3-methylbutan-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660020
2-[1-[(4-chlorophenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659248
2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658618

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659347) is 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid is CC(O)CN1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is YBVNPJWOORIPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(11)3-10-5-9(2,6-10)14-4-8(12)13/h7,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 203.24 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).