N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide

C6H13N3O2 — CID 61133337

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide
SMILESCCCC(=O)NC/C(N)=N/O
InChIInChI=1S/C6H13N3O2/c1-2-3-6(10)8-4-5(7)9-11/h11H,2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyLGTXMZAJOCQOPI-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.35
Rot. Bonds4

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide (PubChem CID 61133337) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide
PubChem CID61133337
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide
SMILESCCCC(=O)NC/C(N)=N/O
InChIInChI=1S/C6H13N3O2/c1-2-3-6(10)8-4-5(7)9-11/h11H,2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyLGTXMZAJOCQOPI-UHFFFAOYSA-N
XLogP-0.35
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide 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 N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide (CID 61133337) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide is CCCC(=O)NC/C(N)=N/O.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide?
The InChIKey is LGTXMZAJOCQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-3-6(10)8-4-5(7)9-11/h11H,2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide has a molecular weight of 159.19 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]butanamide is sourced from PubChem (CID 61133337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).