(phosphorosoamino) propanoate

C3H6NO3P — CID 134211328

IUPAC(phosphorosoamino) propanoate
SMILESCCC(=O)ONP=O
InChIInChI=1S/C3H6NO3P/c1-2-3(5)7-4-8-6/h2H2,1H3,(H,4,6)
InChIKeyDNJWSPMVOCHTMV-UHFFFAOYSA-N
MW135.06 g/mol
LogP0.65
Rot. Bonds3

About (phosphorosoamino) propanoate

(phosphorosoamino) propanoate (PubChem CID 134211328) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is (phosphorosoamino) propanoate.

Molecular Properties

Compound Name(phosphorosoamino) propanoate
PubChem CID134211328
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Name(phosphorosoamino) propanoate
SMILESCCC(=O)ONP=O
InChIInChI=1S/C3H6NO3P/c1-2-3(5)7-4-8-6/h2H2,1H3,(H,4,6)
InChIKeyDNJWSPMVOCHTMV-UHFFFAOYSA-N
XLogP0.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (phosphorosoamino) propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;hydride;(propanoyloxyamino) propanoate
CID 175458235
(2-ethylhydrazinyl) propanoate
CID 140581443
propanoyl (113C)propanoate
CID 91179573
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
ethane-1,2-diol;methyl propanoate;phosphenous acid
CID 175114705
(prop-1-en-2-ylamino) propanoate
CID 57193180
sodium;formamido propanoate;hydride
CID 174830035
CID 45052167
CID 45052167
lithium;hydride;methyl propanoate
CID 174158387
[[(2S)-2-hydroxypropanoyl]amino] propanoate
CID 176961692
(2-aminopropanoylamino) propanoate
CID 146291069

Frequently Asked Questions

What is the IUPAC name of (phosphorosoamino) propanoate?
The IUPAC name of (phosphorosoamino) propanoate (CID 134211328) is (phosphorosoamino) propanoate.
What is the SMILES notation for (phosphorosoamino) propanoate?
The canonical SMILES for (phosphorosoamino) propanoate is CCC(=O)ONP=O.
What is the InChIKey of (phosphorosoamino) propanoate?
The InChIKey is DNJWSPMVOCHTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c1-2-3(5)7-4-8-6/h2H2,1H3,(H,4,6).
What are the key properties of (phosphorosoamino) propanoate?
(phosphorosoamino) propanoate has a molecular weight of 135.06 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (phosphorosoamino) propanoate is sourced from PubChem (CID 134211328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).