2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide

C9H20N4O3 — CID 106237637

IUPAC2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCCCCC(N)=NO
InChIInChI=1S/C9H20N4O3/c10-8(13-15)3-1-2-4-12-5-6-16-7-9(11)14/h12,15H,1-7H2,(H2,10,13)(H2,11,14)
InChIKeyLZKZCQJLNCWWEW-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.01
Rot. Bonds10

About 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide

2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide (PubChem CID 106237637) has the molecular formula C9H20N4O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
PubChem CID106237637
Molecular FormulaC9H20N4O3
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC Name2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCCCCC(N)=NO
InChIInChI=1S/C9H20N4O3/c10-8(13-15)3-1-2-4-12-5-6-16-7-9(11)14/h12,15H,1-7H2,(H2,10,13)(H2,11,14)
InChIKeyLZKZCQJLNCWWEW-UHFFFAOYSA-N
XLogP-1.01
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
CID 106237612
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
5-(2-propoxyethylamino)pentanamide
CID 106237519
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
CID 83203983
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide (CID 106237637) is 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide is NC(=O)COCCNCCCCC(N)=NO.
What is the InChIKey of 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide?
The InChIKey is LZKZCQJLNCWWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3/c10-8(13-15)3-1-2-4-12-5-6-16-7-9(11)14/h12,15H,1-7H2,(H2,10,13)(H2,11,14).
What are the key properties of 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide?
2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide has a molecular weight of 232.28 g/mol, XLogP of -1.01, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106237637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).