3-dimethylphosphanyl-N-hydroxypropanamide

C5H12NO2P — CID 174789997

IUPAC3-dimethylphosphanyl-N-hydroxypropanamide
SMILESCP(C)CCC(=O)NO
InChIInChI=1S/C5H12NO2P/c1-9(2)4-3-5(7)6-8/h8H,3-4H2,1-2H3,(H,6,7)
InChIKeyDPQSAPQFTDKECJ-UHFFFAOYSA-N
MW149.13 g/mol
LogP0.62
Rot. Bonds3

About 3-dimethylphosphanyl-N-hydroxypropanamide

3-dimethylphosphanyl-N-hydroxypropanamide (PubChem CID 174789997) has the molecular formula C5H12NO2P and a molecular weight of 149.13 g/mol. Its IUPAC name is 3-dimethylphosphanyl-N-hydroxypropanamide.

Molecular Properties

Compound Name3-dimethylphosphanyl-N-hydroxypropanamide
PubChem CID174789997
Molecular FormulaC5H12NO2P
Molecular Weight149.13 g/mol
Exact Mass149.06
IUPAC Name3-dimethylphosphanyl-N-hydroxypropanamide
SMILESCP(C)CCC(=O)NO
InChIInChI=1S/C5H12NO2P/c1-9(2)4-3-5(7)6-8/h8H,3-4H2,1-2H3,(H,6,7)
InChIKeyDPQSAPQFTDKECJ-UHFFFAOYSA-N
XLogP0.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-dimethylphosphanyl-N-hydroxypropanamide 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 3-dimethylphosphanyl-N-hydroxypropanamide?
The IUPAC name of 3-dimethylphosphanyl-N-hydroxypropanamide (CID 174789997) is 3-dimethylphosphanyl-N-hydroxypropanamide.
What is the SMILES notation for 3-dimethylphosphanyl-N-hydroxypropanamide?
The canonical SMILES for 3-dimethylphosphanyl-N-hydroxypropanamide is CP(C)CCC(=O)NO.
What is the InChIKey of 3-dimethylphosphanyl-N-hydroxypropanamide?
The InChIKey is DPQSAPQFTDKECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2P/c1-9(2)4-3-5(7)6-8/h8H,3-4H2,1-2H3,(H,6,7).
What are the key properties of 3-dimethylphosphanyl-N-hydroxypropanamide?
3-dimethylphosphanyl-N-hydroxypropanamide has a molecular weight of 149.13 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphanyl-N-hydroxypropanamide is sourced from PubChem (CID 174789997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).