propan-2-yl 2-(dimethylphosphorylamino)acetate

C7H16NO3P — CID 130330346

IUPACpropan-2-yl 2-(dimethylphosphorylamino)acetate
SMILESCC(C)OC(=O)CNP(C)(C)=O
InChIInChI=1S/C7H16NO3P/c1-6(2)11-7(9)5-8-12(3,4)10/h6H,5H2,1-4H3,(H,8,10)
InChIKeyRYRPIPQSRBFFRT-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.07
Rot. Bonds4

About propan-2-yl 2-(dimethylphosphorylamino)acetate

propan-2-yl 2-(dimethylphosphorylamino)acetate (PubChem CID 130330346) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is propan-2-yl 2-(dimethylphosphorylamino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(dimethylphosphorylamino)acetate
PubChem CID130330346
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Namepropan-2-yl 2-(dimethylphosphorylamino)acetate
SMILESCC(C)OC(=O)CNP(C)(C)=O
InChIInChI=1S/C7H16NO3P/c1-6(2)11-7(9)5-8-12(3,4)10/h6H,5H2,1-4H3,(H,8,10)
InChIKeyRYRPIPQSRBFFRT-UHFFFAOYSA-N
XLogP1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propan-2-yl 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 propan-2-yl 2-(dimethylphosphorylamino)acetate?
The IUPAC name of propan-2-yl 2-(dimethylphosphorylamino)acetate (CID 130330346) is propan-2-yl 2-(dimethylphosphorylamino)acetate.
What is the SMILES notation for propan-2-yl 2-(dimethylphosphorylamino)acetate?
The canonical SMILES for propan-2-yl 2-(dimethylphosphorylamino)acetate is CC(C)OC(=O)CNP(C)(C)=O.
What is the InChIKey of propan-2-yl 2-(dimethylphosphorylamino)acetate?
The InChIKey is RYRPIPQSRBFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-6(2)11-7(9)5-8-12(3,4)10/h6H,5H2,1-4H3,(H,8,10).
What are the key properties of propan-2-yl 2-(dimethylphosphorylamino)acetate?
propan-2-yl 2-(dimethylphosphorylamino)acetate has a molecular weight of 193.18 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(dimethylphosphorylamino)acetate is sourced from PubChem (CID 130330346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).