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

C6H11NO2 — CID 66792458

IUPAC2-(3-methylazetidin-1-yl)acetic acid
SMILESCC1CN(CC(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-5-2-7(3-5)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKEMPQKFQCQJOCE-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.02
Rot. Bonds2

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

2-(3-methylazetidin-1-yl)acetic acid (PubChem CID 66792458) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(3-methylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methylazetidin-1-yl)acetic acid
PubChem CID66792458
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(3-methylazetidin-1-yl)acetic acid
SMILESCC1CN(CC(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-5-2-7(3-5)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKEMPQKFQCQJOCE-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.02
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)acetic acid hydrochloride
CID 71757063
2-(Azetidin-1-yl)acetic acid
CID 18923029
2,2'-(Propylazanediyl)diacetic acid
CID 15117138
2-(3,3-Dimethylazetidin-1-yl)acetic acid hydrochloride
CID 119031872
2-(3-Methylazetidin-1-yl)acetic acid hydrochloride
CID 119031933
2-(Diisobutylamino)acetic acid
CID 239817
2-(Azetidin-1-yl)propanoic acid
CID 54349985
2-(3,3-Dimethylazetidin-1-yl)acetic acid
CID 79686403
2-[3-(Trifluoromethyl)azetidin-1-yl]acetic acid
CID 137480122
2-(3-(Fluoromethyl)azetidin-1-yl)acetic acid
CID 121201624
2-(3-(Fluoromethyl)azetidin-1-yl)propanoic acid
CID 121215383

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-1-yl)acetic acid?
The IUPAC name of 2-(3-methylazetidin-1-yl)acetic acid (CID 66792458) is 2-(3-methylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-methylazetidin-1-yl)acetic acid is CC1CN(CC(=O)O)C1.
What is the InChIKey of 2-(3-methylazetidin-1-yl)acetic acid?
The InChIKey is KEMPQKFQCQJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-2-7(3-5)4-6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(3-methylazetidin-1-yl)acetic acid?
2-(3-methylazetidin-1-yl)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.02, 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 is sourced from PubChem (CID 66792458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).