N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide

C8H17N5O3 — CID 59557676

IUPACN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide
SMILESCC(=O)N(CC/C(N)=N/O)CC/C(N)=N\O
InChIInChI=1S/C8H17N5O3/c1-6(14)13(4-2-7(9)11-15)5-3-8(10)12-16/h15-16H,2-5H2,1H3,(H2,9,11)(H2,10,12)
InChIKeyCNUSUSURABZFAF-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.89
Rot. Bonds6

About N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide

N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide (PubChem CID 59557676) has the molecular formula C8H17N5O3 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide.

Molecular Properties

Compound NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide
PubChem CID59557676
Molecular FormulaC8H17N5O3
Molecular Weight231.26 g/mol
Exact Mass231.13
IUPAC NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide
SMILESCC(=O)N(CC/C(N)=N/O)CC/C(N)=N\O
InChIInChI=1S/C8H17N5O3/c1-6(14)13(4-2-7(9)11-15)5-3-8(10)12-16/h15-16H,2-5H2,1H3,(H2,9,11)(H2,10,12)
InChIKeyCNUSUSURABZFAF-UHFFFAOYSA-N
XLogP-0.89
TPSA137.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide?
The IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide (CID 59557676) is N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide.
What is the SMILES notation for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide?
The canonical SMILES for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide is CC(=O)N(CC/C(N)=N/O)CC/C(N)=N\O.
What is the InChIKey of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide?
The InChIKey is CNUSUSURABZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O3/c1-6(14)13(4-2-7(9)11-15)5-3-8(10)12-16/h15-16H,2-5H2,1H3,(H2,9,11)(H2,10,12).
What are the key properties of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide?
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide has a molecular weight of 231.26 g/mol, XLogP of -0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-[(3Z)-3-amino-3-hydroxyiminopropyl]acetamide is sourced from PubChem (CID 59557676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).