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

C9H18N2O3 — CID 102659532

IUPAC2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCCN)C1
InChIInChI=1S/C9H18N2O3/c1-9(14-5-8(12)13)6-11(7-9)4-2-3-10/h2-7,10H2,1H3,(H,12,13)
InChIKeyFOZXOWYDGLGZNB-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.49
Rot. Bonds6

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

2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659532) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659532
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCCN)C1
InChIInChI=1S/C9H18N2O3/c1-9(14-5-8(12)13)6-11(7-9)4-2-3-10/h2-7,10H2,1H3,(H,12,13)
InChIKeyFOZXOWYDGLGZNB-UHFFFAOYSA-N
XLogP-0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
CID 102659384
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-(6-aminohexanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658222
2-[1-(7-aminoheptanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658134
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102659604
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
2-[1-[(4-chlorophenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659248
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707
2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659234

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659532) is 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCCN)C1.
What is the InChIKey of 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is FOZXOWYDGLGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(14-5-8(12)13)6-11(7-9)4-2-3-10/h2-7,10H2,1H3,(H,12,13).
What are the key properties of 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 202.25 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).