CID 159434867

C3H8NNaOP — CID 159434867

IUPAC—
SMILESC[C@H](N)C(=O)P.[Na]
InChIInChI=1S/C3H8NOP.Na/c1-2(4)3(5)6;/h2H,4,6H2,1H3;/t2-;/m0./s1
InChIKeyLRLKILCYGXUWNE-DKWTVANSSA-N
MW128.07 g/mol
LogP-0.65
Rot. Bonds1

About CID 159434867

CID 159434867 (PubChem CID 159434867) has the molecular formula C3H8NNaOP and a molecular weight of 128.07 g/mol.

Molecular Properties

Compound NameCID 159434867
PubChem CID159434867
Molecular FormulaC3H8NNaOP
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Name—
SMILESC[C@H](N)C(=O)P.[Na]
InChIInChI=1S/C3H8NOP.Na/c1-2(4)3(5)6;/h2H,4,6H2,1H3;/t2-;/m0./s1
InChIKeyLRLKILCYGXUWNE-DKWTVANSSA-N
XLogP-0.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 159434867 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 CID 159434867?
The IUPAC name of CID 159434867 (CID 159434867) is not available.
What is the SMILES notation for CID 159434867?
The canonical SMILES for CID 159434867 is C[C@H](N)C(=O)P.[Na].
What is the InChIKey of CID 159434867?
The InChIKey is LRLKILCYGXUWNE-DKWTVANSSA-N. The full InChI is InChI=1S/C3H8NOP.Na/c1-2(4)3(5)6;/h2H,4,6H2,1H3;/t2-;/m0./s1.
What are the key properties of CID 159434867?
CID 159434867 has a molecular weight of 128.07 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159434867 is sourced from PubChem (CID 159434867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).