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

C4H9N3O2 — CID 57319641

IUPAC(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
SMILESNN[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C4H9N3O2/c5-7-3-2(1-8)6-4(3)9/h2-3,7-8H,1,5H2,(H,6,9)/t2-,3+/m1/s1
InChIKeyXWCDDFOLQPQINI-GBXIJSLDSA-N
MW131.13 g/mol
LogP-2.69
Rot. Bonds2

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

(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one (PubChem CID 57319641) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
PubChem CID57319641
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
SMILESNN[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C4H9N3O2/c5-7-3-2(1-8)6-4(3)9/h2-3,7-8H,1,5H2,(H,6,9)/t2-,3+/m1/s1
InChIKeyXWCDDFOLQPQINI-GBXIJSLDSA-N
XLogP-2.69
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 54491574
(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 172642030
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
CID 14329172
(3R,4R,5S)-5-(hydroxymethyl)-3,4-dimethylpyrrolidin-2-one
CID 129405542
(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 118414769
methyl (1R,2S,5S,6S)-2-(hydroxymethyl)-4-oxo-3-azabicyclo[3.1.1]heptane-6-carboxylate
CID 130891164
(4S,5R)-4-(hydroxymethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 58605421
6-(difluoromethyl)-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 123504194
(1S,4S,5R,6S)-6-(difluoromethyl)-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 118414662
2-(3-amino-4-oxoazetidin-2-yl)acetamide
CID 67366514
(3S,3aS,7aR)-3-(hydroxymethyl)-2,3,3a,4,7,7a-hexahydroisoindol-1-one
CID 67518726

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one (CID 57319641) is (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one is NN[C@@H]1C(=O)N[C@@H]1CO.
What is the InChIKey of (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one?
The InChIKey is XWCDDFOLQPQINI-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H9N3O2/c5-7-3-2(1-8)6-4(3)9/h2-3,7-8H,1,5H2,(H,6,9)/t2-,3+/m1/s1.
What are the key properties of (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one?
(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one has a molecular weight of 131.13 g/mol, XLogP of -2.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one is sourced from PubChem (CID 57319641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).