(3S)-3-(aminomethoxy)azetidin-2-one

C4H8N2O2 — CID 70091496

IUPAC(3S)-3-(aminomethoxy)azetidin-2-one
SMILESNCO[C@H]1CNC1=O
InChIInChI=1S/C4H8N2O2/c5-2-8-3-1-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKeyIDZAIFTXZNKWRP-VKHMYHEASA-N
MW116.12 g/mol
LogP-1.58
Rot. Bonds2

About (3S)-3-(aminomethoxy)azetidin-2-one

(3S)-3-(aminomethoxy)azetidin-2-one (PubChem CID 70091496) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S)-3-(aminomethoxy)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-(aminomethoxy)azetidin-2-one
PubChem CID70091496
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(3S)-3-(aminomethoxy)azetidin-2-one
SMILESNCO[C@H]1CNC1=O
InChIInChI=1S/C4H8N2O2/c5-2-8-3-1-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKeyIDZAIFTXZNKWRP-VKHMYHEASA-N
XLogP-1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethoxy)azetidin-2-one?
The IUPAC name of (3S)-3-(aminomethoxy)azetidin-2-one (CID 70091496) is (3S)-3-(aminomethoxy)azetidin-2-one.
What is the SMILES notation for (3S)-3-(aminomethoxy)azetidin-2-one?
The canonical SMILES for (3S)-3-(aminomethoxy)azetidin-2-one is NCO[C@H]1CNC1=O.
What is the InChIKey of (3S)-3-(aminomethoxy)azetidin-2-one?
The InChIKey is IDZAIFTXZNKWRP-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O2/c5-2-8-3-1-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1.
What are the key properties of (3S)-3-(aminomethoxy)azetidin-2-one?
(3S)-3-(aminomethoxy)azetidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethoxy)azetidin-2-one is sourced from PubChem (CID 70091496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).