3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide

C6H12N4O3 — CID 137231110

IUPAC3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide
SMILESCC(C)ON=C(C(N)=O)C(N)=NO
InChIInChI=1S/C6H12N4O3/c1-3(2)13-10-4(6(8)11)5(7)9-12/h3,12H,1-2H3,(H2,7,9)(H2,8,11)
InChIKeyBKPJVIWBGSPGCC-UHFFFAOYSA-N
MW188.19 g/mol
LogP-1.00
Rot. Bonds4

About 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide

3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide (PubChem CID 137231110) has the molecular formula C6H12N4O3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide
PubChem CID137231110
Molecular FormulaC6H12N4O3
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide
SMILESCC(C)ON=C(C(N)=O)C(N)=NO
InChIInChI=1S/C6H12N4O3/c1-3(2)13-10-4(6(8)11)5(7)9-12/h3,12H,1-2H3,(H2,7,9)(H2,8,11)
InChIKeyBKPJVIWBGSPGCC-UHFFFAOYSA-N
XLogP-1.00
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
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'}

Analyze 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-Amino-2,3-bis(isopropoxyimino)propanamide
CID 131732894

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide (CID 137231110) is 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide is CC(C)ON=C(C(N)=O)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide?
The InChIKey is BKPJVIWBGSPGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3/c1-3(2)13-10-4(6(8)11)5(7)9-12/h3,12H,1-2H3,(H2,7,9)(H2,8,11).
What are the key properties of 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide?
3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide has a molecular weight of 188.19 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide is sourced from PubChem (CID 137231110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).