(3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide

C7H14N4O3 — CID 43553028

IUPAC(3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide
SMILESCC(=O)NCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C7H14N4O3/c1-5(12)9-2-3-10-7(13)4-6(8)11-14/h14H,2-4H2,1H3,(H2,8,11)(H,9,12)(H,10,13)
InChIKeyBUZSQSBIMOAAQO-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.62
Rot. Bonds5

About (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide

(3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide (PubChem CID 43553028) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide
PubChem CID43553028
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name(3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide
SMILESCC(=O)NCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C7H14N4O3/c1-5(12)9-2-3-10-7(13)4-6(8)11-14/h14H,2-4H2,1H3,(H2,8,11)(H,9,12)(H,10,13)
InChIKeyBUZSQSBIMOAAQO-UHFFFAOYSA-N
XLogP-1.62
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
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'}

Analyze (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide (CID 43553028) is (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide is CC(=O)NCCNC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide?
The InChIKey is BUZSQSBIMOAAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-5(12)9-2-3-10-7(13)4-6(8)11-14/h14H,2-4H2,1H3,(H2,8,11)(H,9,12)(H,10,13).
What are the key properties of (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide?
(3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide has a molecular weight of 202.21 g/mol, XLogP of -1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide is sourced from PubChem (CID 43553028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).