2-(3-methylazetidin-1-yl)acetic acid;hydrochloride

C6H12ClNO2 — CID 119031933

IUPAC2-(3-methylazetidin-1-yl)acetic acid;hydrochloride
SMILESCC1CN(CC(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-5-2-7(3-5)4-6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H
InChIKeyDMYJJZXKJKOVAG-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.44
Rot. Bonds2

About 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride

2-(3-methylazetidin-1-yl)acetic acid;hydrochloride (PubChem CID 119031933) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methylazetidin-1-yl)acetic acid;hydrochloride
PubChem CID119031933
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-(3-methylazetidin-1-yl)acetic acid;hydrochloride
SMILESCC1CN(CC(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-5-2-7(3-5)4-6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H
InChIKeyDMYJJZXKJKOVAG-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methyl(propyl)amino)acetic acid hydrochloride
CID 50988218
2-(Azetidin-1-yl)propanoic acid hydrochloride
CID 67892510
2-(Azetidin-1-yl)acetic acid hydrochloride
CID 71757063
2-(Azetidin-1-yl)acetic acid
CID 18923029
2-(3,3-Dimethylazetidin-1-yl)acetic acid hydrochloride
CID 119031872
2-(3-Methoxy-3-methylazetidin-1-yl)acetic acid hydrochloride
CID 122164497
2-(Diisobutylamino)acetic acid
CID 239817
2-(3-Methylazetidin-1-yl)acetic acid
CID 66792458
2-(3,3-Dimethylazetidin-1-yl)acetic acid
CID 79686403
2-[3-(Trifluoromethyl)azetidin-1-yl]acetic acid
CID 137480122
Carboxy propyl-trimethylammonium chloride
CID 137700805
2-(3-(Fluoromethyl)azetidin-1-yl)acetic acid
CID 121201624

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride (CID 119031933) is 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride is CC1CN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride?
The InChIKey is DMYJJZXKJKOVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-5-2-7(3-5)4-6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H.
What are the key properties of 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride?
2-(3-methylazetidin-1-yl)acetic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 119031933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).