2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid

C8H15NO3 — CID 106824653

IUPAC2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid
SMILESCOC1CC(CN)(CC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-12-6-2-8(3-6,5-9)4-7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyCLWYYQBGPWDZBL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.22
Rot. Bonds4

About 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid

2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid (PubChem CID 106824653) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid
PubChem CID106824653
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid
SMILESCOC1CC(CN)(CC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-12-6-2-8(3-6,5-9)4-7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyCLWYYQBGPWDZBL-UHFFFAOYSA-N
XLogP0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid (CID 106824653) is 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid is COC1CC(CN)(CC(=O)O)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid?
The InChIKey is CLWYYQBGPWDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-6-2-8(3-6,5-9)4-7(10)11/h6H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid?
2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-methoxycyclobutyl]acetic acid is sourced from PubChem (CID 106824653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).