2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride

C6H14Cl2N2O2 — CID 146154016

IUPAC2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride
SMILESCN(CC(=O)O)C1CNC1.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-8(4-6(9)10)5-2-7-3-5;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H
InChIKeyWIMQSALZZAEBKW-UHFFFAOYSA-N
MW217.10 g/mol
LogP-0.18
Rot. Bonds3

About 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride

2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride (PubChem CID 146154016) has the molecular formula C6H14Cl2N2O2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride
PubChem CID146154016
Molecular FormulaC6H14Cl2N2O2
Molecular Weight217.10 g/mol
Exact Mass216.04
IUPAC Name2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride
SMILESCN(CC(=O)O)C1CNC1.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-8(4-6(9)10)5-2-7-3-5;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H
InChIKeyWIMQSALZZAEBKW-UHFFFAOYSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
2-[methyl(oxetan-3-yl)amino]acetic acid
CID 82417781
2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid
CID 64609754
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
N,N-dimethyl-2-[methyl-(5-methylpiperidin-3-yl)amino]acetamide
CID 115373384
2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66187363
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]acetic acid
CID 54019631
2-[(3,4-dimethylcyclohexyl)-methylamino]acetic acid
CID 64737986
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride (CID 146154016) is 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride is CN(CC(=O)O)C1CNC1.Cl.Cl.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride?
The InChIKey is WIMQSALZZAEBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.2ClH/c1-8(4-6(9)10)5-2-7-3-5;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H.
What are the key properties of 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride?
2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride has a molecular weight of 217.10 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride is sourced from PubChem (CID 146154016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).