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

C11H21N3O3 — CID 107141687

IUPAC2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid
SMILESCCCN(CC(=O)NC)C1(CC(=O)O)CNC1
InChIInChI=1S/C11H21N3O3/c1-3-4-14(6-9(15)12-2)11(5-10(16)17)7-13-8-11/h13H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyXRJPCDJBROUBQY-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.74
Rot. Bonds7

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

2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid (PubChem CID 107141687) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid
PubChem CID107141687
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid
SMILESCCCN(CC(=O)NC)C1(CC(=O)O)CNC1
InChIInChI=1S/C11H21N3O3/c1-3-4-14(6-9(15)12-2)11(5-10(16)17)7-13-8-11/h13H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyXRJPCDJBROUBQY-UHFFFAOYSA-N
XLogP-0.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid (CID 107141687) is 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid is CCCN(CC(=O)NC)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid?
The InChIKey is XRJPCDJBROUBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-14(6-9(15)12-2)11(5-10(16)17)7-13-8-11/h13H,3-8H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid?
2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid has a molecular weight of 243.31 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(methylamino)-2-oxoethyl]-propylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).