methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate

C11H19N3O4 — CID 79047605

IUPACmethyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CC(=O)NNC(C)=O)C1
InChIInChI=1S/C11H19N3O4/c1-8(15)12-13-10(16)7-14-5-3-4-9(6-14)11(17)18-2/h9H,3-7H2,1-2H3,(H,12,15)(H,13,16)/t9-/m0/s1
InChIKeyAOAPIRYAFBQWBN-VIFPVBQESA-N
MW257.29 g/mol
LogP-0.96
Rot. Bonds3

About methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate

methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 79047605) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID79047605
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Namemethyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CC(=O)NNC(C)=O)C1
InChIInChI=1S/C11H19N3O4/c1-8(15)12-13-10(16)7-14-5-3-4-9(6-14)11(17)18-2/h9H,3-7H2,1-2H3,(H,12,15)(H,13,16)/t9-/m0/s1
InChIKeyAOAPIRYAFBQWBN-VIFPVBQESA-N
XLogP-0.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78921362
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate (CID 79047605) is methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(CC(=O)NNC(C)=O)C1.
What is the InChIKey of methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is AOAPIRYAFBQWBN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O4/c1-8(15)12-13-10(16)7-14-5-3-4-9(6-14)11(17)18-2/h9H,3-7H2,1-2H3,(H,12,15)(H,13,16)/t9-/m0/s1.
What are the key properties of methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate?
methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 79047605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).