methyl 2-(dimethylphosphorylamino)acetate

C5H12NO3P — CID 155316008

IUPACmethyl 2-(dimethylphosphorylamino)acetate
SMILESCOC(=O)CNP(C)(C)=O
InChIInChI=1S/C5H12NO3P/c1-9-5(7)4-6-10(2,3)8/h4H2,1-3H3,(H,6,8)
InChIKeyVBJNEBCVCATIHY-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.29
Rot. Bonds3

About methyl 2-(dimethylphosphorylamino)acetate

methyl 2-(dimethylphosphorylamino)acetate (PubChem CID 155316008) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is methyl 2-(dimethylphosphorylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(dimethylphosphorylamino)acetate
PubChem CID155316008
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Namemethyl 2-(dimethylphosphorylamino)acetate
SMILESCOC(=O)CNP(C)(C)=O
InChIInChI=1S/C5H12NO3P/c1-9-5(7)4-6-10(2,3)8/h4H2,1-3H3,(H,6,8)
InChIKeyVBJNEBCVCATIHY-UHFFFAOYSA-N
XLogP0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl 2-(dimethylphosphorylamino)acetate 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 methyl 2-(dimethylphosphorylamino)acetate?
The IUPAC name of methyl 2-(dimethylphosphorylamino)acetate (CID 155316008) is methyl 2-(dimethylphosphorylamino)acetate.
What is the SMILES notation for methyl 2-(dimethylphosphorylamino)acetate?
The canonical SMILES for methyl 2-(dimethylphosphorylamino)acetate is COC(=O)CNP(C)(C)=O.
What is the InChIKey of methyl 2-(dimethylphosphorylamino)acetate?
The InChIKey is VBJNEBCVCATIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3P/c1-9-5(7)4-6-10(2,3)8/h4H2,1-3H3,(H,6,8).
What are the key properties of methyl 2-(dimethylphosphorylamino)acetate?
methyl 2-(dimethylphosphorylamino)acetate has a molecular weight of 165.13 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylphosphorylamino)acetate is sourced from PubChem (CID 155316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).