2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid

C9H19N3O2 — CID 107142240

IUPAC2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
SMILESCN(C)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C9H19N3O2/c1-12(2)4-3-11-9(5-8(13)14)6-10-7-9/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyZAEIMLVTQLIQFP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.05
Rot. Bonds6

About 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid

2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid (PubChem CID 107142240) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
PubChem CID107142240
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
SMILESCN(C)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C9H19N3O2/c1-12(2)4-3-11-9(5-8(13)14)6-10-7-9/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyZAEIMLVTQLIQFP-UHFFFAOYSA-N
XLogP-1.05
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498
2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107143026
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
CID 107143147
2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
CID 107142554
2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
CID 106215248
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142864
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid (CID 107142240) is 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid is CN(C)CCNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid?
The InChIKey is ZAEIMLVTQLIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12(2)4-3-11-9(5-8(13)14)6-10-7-9/h10-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid?
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).