tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate

C9H17N3O3 — CID 129408107

IUPACtert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NN
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)12-5-4-6(12)7(13)11-10/h6H,4-5,10H2,1-3H3,(H,11,13)/t6-/m1/s1
InChIKeyISRUHMVRFLYAMW-ZCFIWIBFSA-N
MW215.25 g/mol
LogP-0.01
Rot. Bonds1

About tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate

tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate (PubChem CID 129408107) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
PubChem CID129408107
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nametert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NN
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)12-5-4-6(12)7(13)11-10/h6H,4-5,10H2,1-3H3,(H,11,13)/t6-/m1/s1
InChIKeyISRUHMVRFLYAMW-ZCFIWIBFSA-N
XLogP-0.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
1-O-tert-butyl 2-O-(chloromethyl) (2S)-azetidine-1,2-dicarboxylate
CID 171393356
tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
CID 90181745
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
CID 124835778
tert-butyl (2S)-2-(hexylcarbamoyl)azetidine-1-carboxylate
CID 58606947
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
CID 87540100
tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
CID 173484458

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate (CID 129408107) is tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NN.
What is the InChIKey of tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate?
The InChIKey is ISRUHMVRFLYAMW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)12-5-4-6(12)7(13)11-10/h6H,4-5,10H2,1-3H3,(H,11,13)/t6-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate?
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate is sourced from PubChem (CID 129408107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).