2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid

C11H22N2O2 — CID 107141511

IUPAC2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid
SMILESCCN(CC(C)C)C1(CC(=O)O)CNC1
InChIInChI=1S/C11H22N2O2/c1-4-13(6-9(2)3)11(5-10(14)15)7-12-8-11/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyYBZAZMPXUWRSAV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds6

About 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid

2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107141511) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid
PubChem CID107141511
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid
SMILESCCN(CC(C)C)C1(CC(=O)O)CNC1
InChIInChI=1S/C11H22N2O2/c1-4-13(6-9(2)3)11(5-10(14)15)7-12-8-11/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyYBZAZMPXUWRSAV-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid (CID 107141511) is 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid is CCN(CC(C)C)C1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is YBZAZMPXUWRSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(6-9(2)3)11(5-10(14)15)7-12-8-11/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid?
2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).