(4R)-4-(aminomethyl)oxetan-2-one

C4H7NO2 — CID 20656326

IUPAC(4R)-4-(aminomethyl)oxetan-2-one
SMILESNC[C@H]1CC(=O)O1
InChIInChI=1S/C4H7NO2/c5-2-3-1-4(6)7-3/h3H,1-2,5H2/t3-/m1/s1
InChIKeyPDKDBJKZGCQBDV-GSVOUGTGSA-N
MW101.11 g/mol
LogP-0.74
Rot. Bonds1

About (4R)-4-(aminomethyl)oxetan-2-one

(4R)-4-(aminomethyl)oxetan-2-one (PubChem CID 20656326) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)oxetan-2-one.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)oxetan-2-one
PubChem CID20656326
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name(4R)-4-(aminomethyl)oxetan-2-one
SMILESNC[C@H]1CC(=O)O1
InChIInChI=1S/C4H7NO2/c5-2-3-1-4(6)7-3/h3H,1-2,5H2/t3-/m1/s1
InChIKeyPDKDBJKZGCQBDV-GSVOUGTGSA-N
XLogP-0.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(aminomethyl)oxetan-2-one?
The IUPAC name of (4R)-4-(aminomethyl)oxetan-2-one (CID 20656326) is (4R)-4-(aminomethyl)oxetan-2-one.
What is the SMILES notation for (4R)-4-(aminomethyl)oxetan-2-one?
The canonical SMILES for (4R)-4-(aminomethyl)oxetan-2-one is NC[C@H]1CC(=O)O1.
What is the InChIKey of (4R)-4-(aminomethyl)oxetan-2-one?
The InChIKey is PDKDBJKZGCQBDV-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7NO2/c5-2-3-1-4(6)7-3/h3H,1-2,5H2/t3-/m1/s1.
What are the key properties of (4R)-4-(aminomethyl)oxetan-2-one?
(4R)-4-(aminomethyl)oxetan-2-one has a molecular weight of 101.11 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)oxetan-2-one is sourced from PubChem (CID 20656326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).