(3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one

C4H7N5O — CID 86734332

IUPAC(3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1NC(=O)[C@@H]1N
InChIInChI=1S/C4H7N5O/c5-3-2(1-7-9-6)8-4(3)10/h2-3H,1,5H2,(H,8,10)/t2-,3+/m0/s1
InChIKeyVEWLITSREXQETL-STHAYSLISA-N
MW141.13 g/mol
LogP-0.88
Rot. Bonds2

About (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one

(3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one (PubChem CID 86734332) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one
PubChem CID86734332
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name(3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1NC(=O)[C@@H]1N
InChIInChI=1S/C4H7N5O/c5-3-2(1-7-9-6)8-4(3)10/h2-3H,1,5H2,(H,8,10)/t2-,3+/m0/s1
InChIKeyVEWLITSREXQETL-STHAYSLISA-N
XLogP-0.88
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one (CID 86734332) is (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one is [N-]=[N+]=NC[C@@H]1NC(=O)[C@@H]1N.
What is the InChIKey of (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one?
The InChIKey is VEWLITSREXQETL-STHAYSLISA-N. The full InChI is InChI=1S/C4H7N5O/c5-3-2(1-7-9-6)8-4(3)10/h2-3H,1,5H2,(H,8,10)/t2-,3+/m0/s1.
What are the key properties of (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one?
(3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one has a molecular weight of 141.13 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-(azidomethyl)azetidin-2-one is sourced from PubChem (CID 86734332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).