(3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one

C4H6N4O2 — CID 54361505

IUPAC(3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one
SMILES[N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C4H6N4O2/c5-8-7-3-2(1-9)6-4(3)10/h2-3,9H,1H2,(H,6,10)/t2-,3+/m1/s1
InChIKeyUMVGMJKLXPUOQE-GBXIJSLDSA-N
MW142.12 g/mol
LogP-0.84
Rot. Bonds2

About (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one

(3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one (PubChem CID 54361505) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one
PubChem CID54361505
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one
SMILES[N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C4H6N4O2/c5-8-7-3-2(1-9)6-4(3)10/h2-3,9H,1H2,(H,6,10)/t2-,3+/m1/s1
InChIKeyUMVGMJKLXPUOQE-GBXIJSLDSA-N
XLogP-0.84
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.84
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'}

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Related Compounds

4-(Hydroxymethyl)azetidin-2-one
CID 12560725
(4S)-4-(hydroxymethyl)azetidin-2-one
CID 10964424
(2R)-2-amino-4-hydroxy-N-(2-hydroxyethyl)butanamide
CID 45122469
(R)-4-(Hydroxymethyl)azetidin-2-one
CID 11962861
(2S,3R)-3-azido-4-oxo-2-azetidinecarboxylic acid
CID 13712293
3-Amino-4-(hydroxymethyl)azetidin-2-one
CID 14230591
(3R,4R)-3-amino-4-(hydroxymethyl)azetidin-2-one
CID 14230592
cis-3-Amino-4-hydroxymethyl-2-oxoazetidine
CID 20632011
3-Azido-4-(hydroxymethyl)azetidin-2-one
CID 23470091
3-Hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 54491574
(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 57319641
cis-3-Azido-2-hydroxymethyl-4-oxoazetidine
CID 86734333

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one (CID 54361505) is (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one is [N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1CO.
What is the InChIKey of (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one?
The InChIKey is UMVGMJKLXPUOQE-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-8-7-3-2(1-9)6-4(3)10/h2-3,9H,1H2,(H,6,10)/t2-,3+/m1/s1.
What are the key properties of (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one?
(3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one has a molecular weight of 142.12 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-azido-4-(hydroxymethyl)azetidin-2-one is sourced from PubChem (CID 54361505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).