2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide

C9H17N3O2 — CID 11194977

IUPAC2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide
SMILESNNC(=O)C[C@@]1(O)CN2CCC1CC2
InChIInChI=1S/C9H17N3O2/c10-11-8(13)5-9(14)6-12-3-1-7(9)2-4-12/h7,14H,1-6,10H2,(H,11,13)/t9-/m1/s1
InChIKeyOWBLJTBJSMEPJZ-SECBINFHSA-N
MW199.25 g/mol
LogP-1.18
Rot. Bonds2

About 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide

2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide (PubChem CID 11194977) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide
PubChem CID11194977
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide
SMILESNNC(=O)C[C@@]1(O)CN2CCC1CC2
InChIInChI=1S/C9H17N3O2/c10-11-8(13)5-9(14)6-12-3-1-7(9)2-4-12/h7,14H,1-6,10H2,(H,11,13)/t9-/m1/s1
InChIKeyOWBLJTBJSMEPJZ-SECBINFHSA-N
XLogP-1.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
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

2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid
CID 28952583
(3R)-3-(chloromethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 42554392
(3S)-3-(chloromethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 42554394
(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 66724726
tert-butyl 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)acetate
CID 45357691
3-(sulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 11126763
(3S)-3-(sulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 15643566
S-[[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]methyl] ethanethioate
CID 97305557
S-[[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]methyl] ethanethioate
CID 97305558
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 20568205
(3R)-3-(carboxymethyl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 1240873
N-cyclopropyl-3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 167964595

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide?
The IUPAC name of 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide (CID 11194977) is 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide.
What is the SMILES notation for 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide?
The canonical SMILES for 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide is NNC(=O)C[C@@]1(O)CN2CCC1CC2.
What is the InChIKey of 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide?
The InChIKey is OWBLJTBJSMEPJZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-11-8(13)5-9(14)6-12-3-1-7(9)2-4-12/h7,14H,1-6,10H2,(H,11,13)/t9-/m1/s1.
What are the key properties of 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide?
2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide has a molecular weight of 199.25 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide is sourced from PubChem (CID 11194977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).