N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide

C9H19N3O3 — CID 77036734

IUPACN-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide
SMILESCOCCC(=O)NCCCCC(N)=NO
InChIInChI=1S/C9H19N3O3/c1-15-7-5-9(13)11-6-3-2-4-8(10)12-14/h14H,2-7H2,1H3,(H2,10,12)(H,11,13)
InChIKeyKVFIHGISXFKBET-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.06
Rot. Bonds8

About N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide

N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide (PubChem CID 77036734) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide
PubChem CID77036734
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide
SMILESCOCCC(=O)NCCCCC(N)=NO
InChIInChI=1S/C9H19N3O3/c1-15-7-5-9(13)11-6-3-2-4-8(10)12-14/h14H,2-7H2,1H3,(H2,10,12)(H,11,13)
InChIKeyKVFIHGISXFKBET-UHFFFAOYSA-N
XLogP0.06
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
CID 77036898
N-(5-amino-5-hydroxyiminopentyl)octanamide
CID 77036923
methane;3-methoxy-N-pentylpropanamide
CID 157319265
N'-(3-methoxypropyl)decanediamide
CID 89083408
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
N-(5-amino-5-hydroxyiminopentyl)-2-cyclopentylacetamide
CID 77036704
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide (CID 77036734) is N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide is COCCC(=O)NCCCCC(N)=NO.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide?
The InChIKey is KVFIHGISXFKBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-15-7-5-9(13)11-6-3-2-4-8(10)12-14/h14H,2-7H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide?
N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide has a molecular weight of 217.27 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide is sourced from PubChem (CID 77036734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).