(3-amino-2-oxopropyl) dihydrogen phosphate

C3H8NO5P — CID 5

IUPAC(3-amino-2-oxopropyl) dihydrogen phosphate
SMILESNCC(=O)COP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)
InChIKeyHIQNVODXENYOFK-UHFFFAOYSA-N
MW169.07 g/mol
LogP-1.38
Rot. Bonds4

About (3-amino-2-oxopropyl) dihydrogen phosphate

(3-amino-2-oxopropyl) dihydrogen phosphate (PubChem CID 5) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is (3-amino-2-oxopropyl) dihydrogen phosphate.

Molecular Properties

Compound Name(3-amino-2-oxopropyl) dihydrogen phosphate
PubChem CID5
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name(3-amino-2-oxopropyl) dihydrogen phosphate
SMILESNCC(=O)COP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)
InChIKeyHIQNVODXENYOFK-UHFFFAOYSA-N
XLogP-1.38
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-2-oxopropyl) dihydrogen phosphate 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-amino-2-oxopropyl) dihydrogen phosphate?
The IUPAC name of (3-amino-2-oxopropyl) dihydrogen phosphate (CID 5) is (3-amino-2-oxopropyl) dihydrogen phosphate.
What is the SMILES notation for (3-amino-2-oxopropyl) dihydrogen phosphate?
The canonical SMILES for (3-amino-2-oxopropyl) dihydrogen phosphate is NCC(=O)COP(=O)(O)O.
What is the InChIKey of (3-amino-2-oxopropyl) dihydrogen phosphate?
The InChIKey is HIQNVODXENYOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8).
What are the key properties of (3-amino-2-oxopropyl) dihydrogen phosphate?
(3-amino-2-oxopropyl) dihydrogen phosphate has a molecular weight of 169.07 g/mol, XLogP of -1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropyl) dihydrogen phosphate is sourced from PubChem (CID 5), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).