2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide

C8H17N3O3 — CID 131000958

IUPAC2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCOCC(O)C1
InChIInChI=1S/C8H17N3O3/c1-6(8(13)10-9)11-2-3-14-5-7(12)4-11/h6-7,12H,2-5,9H2,1H3,(H,10,13)
InChIKeyYQUQBVQLAOGULD-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.94
Rot. Bonds2

About 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide

2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide (PubChem CID 131000958) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide.

Molecular Properties

Compound Name2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide
PubChem CID131000958
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCOCC(O)C1
InChIInChI=1S/C8H17N3O3/c1-6(8(13)10-9)11-2-3-14-5-7(12)4-11/h6-7,12H,2-5,9H2,1H3,(H,10,13)
InChIKeyYQUQBVQLAOGULD-UHFFFAOYSA-N
XLogP-1.94
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxy-4-methylpiperidin-1-yl)propanehydrazide
CID 102968624
2-(3-methylmorpholin-4-yl)propanehydrazide
CID 63573861
2-(2-cyanomorpholin-4-yl)propanehydrazide
CID 79680453
(2R)-3-methyl-2-morpholin-4-ylbutanehydrazide
CID 30403760
4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
2-[3-(dimethylamino)pyrrolidin-1-yl]propanehydrazide
CID 63584464
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide
CID 103540530
6-hydroxy-1,4-oxazepane-4-carboxamide
CID 130942569
2-(3-cyanopiperidin-1-yl)propanehydrazide
CID 164653332
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)morpholine-3-carboxamide
CID 83095756

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide?
The IUPAC name of 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide (CID 131000958) is 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide.
What is the SMILES notation for 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide?
The canonical SMILES for 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide is CC(C(=O)NN)N1CCOCC(O)C1.
What is the InChIKey of 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide?
The InChIKey is YQUQBVQLAOGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(8(13)10-9)11-2-3-14-5-7(12)4-11/h6-7,12H,2-5,9H2,1H3,(H,10,13).
What are the key properties of 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide?
2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide has a molecular weight of 203.24 g/mol, XLogP of -1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide is sourced from PubChem (CID 131000958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).