2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid

C8H16N2O2 — CID 64618110

IUPAC2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
SMILESNCCCN1CC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c9-2-1-3-10-5-7(6-10)4-8(11)12/h7H,1-6,9H2,(H,11,12)
InChIKeyYAPQQTHSFKLTKK-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.26
Rot. Bonds5

About 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid

2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid (PubChem CID 64618110) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
PubChem CID64618110
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
SMILESNCCCN1CC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c9-2-1-3-10-5-7(6-10)4-8(11)12/h7H,1-6,9H2,(H,11,12)
InChIKeyYAPQQTHSFKLTKK-UHFFFAOYSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid (CID 64618110) is 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid is NCCCN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid?
The InChIKey is YAPQQTHSFKLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-2-1-3-10-5-7(6-10)4-8(11)12/h7H,1-6,9H2,(H,11,12).
What are the key properties of 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid?
2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid has a molecular weight of 172.23 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).