2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid

C8H14N2O3 — CID 64609754

IUPAC2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1CNC1
InChIInChI=1S/C8H14N2O3/c1-10(5-8(12)13)7(11)2-6-3-9-4-6/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyZENXLJPKVZUHRV-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.86
Rot. Bonds4

About 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid

2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid (PubChem CID 64609754) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid
PubChem CID64609754
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1CNC1
InChIInChI=1S/C8H14N2O3/c1-10(5-8(12)13)7(11)2-6-3-9-4-6/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyZENXLJPKVZUHRV-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid (CID 64609754) is 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)CC1CNC1.
What is the InChIKey of 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid?
The InChIKey is ZENXLJPKVZUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10(5-8(12)13)7(11)2-6-3-9-4-6/h6,9H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid?
2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 64609754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).