[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate

C9H18N2O2 — CID 168867812

IUPAC[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC1CN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)8(12)13-11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3
InChIKeyJAKYUZYXMMWLEH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.52
Rot. Bonds2

About [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate

[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 168867812) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate
PubChem CID168867812
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC1CN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)8(12)13-11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3
InChIKeyJAKYUZYXMMWLEH-UHFFFAOYSA-N
XLogP0.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate (CID 168867812) is [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC1CN.
What is the InChIKey of [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is JAKYUZYXMMWLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)8(12)13-11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3.
What are the key properties of [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate?
[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 186.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 168867812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).