hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate

C11H21N3O3 — CID 66339147

IUPAChydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate
SMILESNNOC(=O)CCN1CCOC2CCCCC21
InChIInChI=1S/C11H21N3O3/c12-13-17-11(15)5-6-14-7-8-16-10-4-2-1-3-9(10)14/h9-10,13H,1-8,12H2
InChIKeyOFGJLDVBIPZFTK-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.06
Rot. Bonds4

About hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate

hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate (PubChem CID 66339147) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate
PubChem CID66339147
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namehydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate
SMILESNNOC(=O)CCN1CCOC2CCCCC21
InChIInChI=1S/C11H21N3O3/c12-13-17-11(15)5-6-14-7-8-16-10-4-2-1-3-9(10)14/h9-10,13H,1-8,12H2
InChIKeyOFGJLDVBIPZFTK-UHFFFAOYSA-N
XLogP-0.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate with MolForge

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Related Compounds

ethyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propanoate
CID 61370843
methyl 2-[3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]propanoylamino]acetate
CID 100906324
hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate
CID 66339308
ethyl 2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]acetate
CID 124670169
hydrazinyl 3-(2-ethylpiperidin-1-yl)propanoate
CID 66337668
4-[2-(1,3-dioxan-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66475128
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(methylamino)butanamide
CID 63053086
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-amino-2-ethylpentanoic acid
CID 106806042
ethyl 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 78989273
methyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-bromopropanoate
CID 81100260
hydrazinyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propanoate
CID 66337122

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate?
The IUPAC name of hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate (CID 66339147) is hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate is NNOC(=O)CCN1CCOC2CCCCC21.
What is the InChIKey of hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate?
The InChIKey is OFGJLDVBIPZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-13-17-11(15)5-6-14-7-8-16-10-4-2-1-3-9(10)14/h9-10,13H,1-8,12H2.
What are the key properties of hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate?
hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate has a molecular weight of 243.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate is sourced from PubChem (CID 66339147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).