2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide

C7H16N4O3 — CID 106237612

IUPAC2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCCC(N)=NO
InChIInChI=1S/C7H16N4O3/c8-6(11-13)1-2-10-3-4-14-5-7(9)12/h10,13H,1-5H2,(H2,8,11)(H2,9,12)
InChIKeyYBQLOGZCTBWHPN-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.79
Rot. Bonds8

About 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide

2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide (PubChem CID 106237612) has the molecular formula C7H16N4O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
PubChem CID106237612
Molecular FormulaC7H16N4O3
Molecular Weight204.23 g/mol
Exact Mass204.12
IUPAC Name2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNCCC(N)=NO
InChIInChI=1S/C7H16N4O3/c8-6(11-13)1-2-10-3-4-14-5-7(9)12/h10,13H,1-5H2,(H2,8,11)(H2,9,12)
InChIKeyYBQLOGZCTBWHPN-UHFFFAOYSA-N
XLogP-1.79
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.79
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-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
CID 106237637
2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
CID 83203983
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-[2-[(3-hydroxy-3-methylbutyl)amino]ethoxy]acetamide
CID 106237934
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092
2-[2-(2-hydrazinylethoxy)ethoxy]acetamide
CID 123413138
2-[2-(2-methylidenebutylamino)ethoxy]acetamide
CID 106237732
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide (CID 106237612) is 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide is NC(=O)COCCNCCC(N)=NO.
What is the InChIKey of 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide?
The InChIKey is YBQLOGZCTBWHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3/c8-6(11-13)1-2-10-3-4-14-5-7(9)12/h10,13H,1-5H2,(H2,8,11)(H2,9,12).
What are the key properties of 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide?
2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide has a molecular weight of 204.23 g/mol, XLogP of -1.79, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106237612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).