3-(aminomethyl)oxetane-3-carboxylic acid

C5H9NO3 — CID 82593811

IUPAC3-(aminomethyl)oxetane-3-carboxylic acid
SMILESNCC1(C(=O)O)COC1
InChIInChI=1S/C5H9NO3/c6-1-5(4(7)8)2-9-3-5/h1-3,6H2,(H,7,8)
InChIKeyFMENSXXKJICSDN-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.95
Rot. Bonds2

About 3-(aminomethyl)oxetane-3-carboxylic acid

3-(aminomethyl)oxetane-3-carboxylic acid (PubChem CID 82593811) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 3-(aminomethyl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)oxetane-3-carboxylic acid
PubChem CID82593811
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name3-(aminomethyl)oxetane-3-carboxylic acid
SMILESNCC1(C(=O)O)COC1
InChIInChI=1S/C5H9NO3/c6-1-5(4(7)8)2-9-3-5/h1-3,6H2,(H,7,8)
InChIKeyFMENSXXKJICSDN-UHFFFAOYSA-N
XLogP-0.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(aminomethyl)oxetane-3-carboxylic acid (CID 82593811) is 3-(aminomethyl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)oxetane-3-carboxylic acid is NCC1(C(=O)O)COC1.
What is the InChIKey of 3-(aminomethyl)oxetane-3-carboxylic acid?
The InChIKey is FMENSXXKJICSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c6-1-5(4(7)8)2-9-3-5/h1-3,6H2,(H,7,8).
What are the key properties of 3-(aminomethyl)oxetane-3-carboxylic acid?
3-(aminomethyl)oxetane-3-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)oxetane-3-carboxylic acid is sourced from PubChem (CID 82593811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).