disodium;hydride;(propanoyloxyamino) propanoate

C6H13NNa2O4 — CID 175458235

IUPACdisodium;hydride;(propanoyloxyamino) propanoate
SMILESCCC(=O)ONOC(=O)CC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H11NO4.2Na.2H/c1-3-5(8)10-7-11-6(9)4-2;;;;/h7H,3-4H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyNZBICDWPZHZWRN-UHFFFAOYSA-N
MW209.15 g/mol
LogP-5.45
Rot. Bonds4

About disodium;hydride;(propanoyloxyamino) propanoate

disodium;hydride;(propanoyloxyamino) propanoate (PubChem CID 175458235) has the molecular formula C6H13NNa2O4 and a molecular weight of 209.15 g/mol. Its IUPAC name is disodium;hydride;(propanoyloxyamino) propanoate.

Molecular Properties

Compound Namedisodium;hydride;(propanoyloxyamino) propanoate
PubChem CID175458235
Molecular FormulaC6H13NNa2O4
Molecular Weight209.15 g/mol
Exact Mass209.06
IUPAC Namedisodium;hydride;(propanoyloxyamino) propanoate
SMILESCCC(=O)ONOC(=O)CC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H11NO4.2Na.2H/c1-3-5(8)10-7-11-6(9)4-2;;;;/h7H,3-4H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyNZBICDWPZHZWRN-UHFFFAOYSA-N
XLogP-5.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 5-5.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze disodium;hydride;(propanoyloxyamino) 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

sodium;formamido propanoate;hydride
CID 174830035
lithium;hydride;methyl propanoate
CID 174158387
disodium;carboxy propanoate;hydride
CID 174329569
(phosphorosoamino) propanoate
CID 134211328
(2-ethylhydrazinyl) propanoate
CID 140581443
propanoyl (113C)propanoate
CID 91179573
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
(prop-1-en-2-ylamino) propanoate
CID 57193180
CID 45052167
CID 45052167
[[(2S)-2-hydroxypropanoyl]amino] propanoate
CID 176961692
(2-aminopropanoylamino) propanoate
CID 146291069

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;(propanoyloxyamino) propanoate?
The IUPAC name of disodium;hydride;(propanoyloxyamino) propanoate (CID 175458235) is disodium;hydride;(propanoyloxyamino) propanoate.
What is the SMILES notation for disodium;hydride;(propanoyloxyamino) propanoate?
The canonical SMILES for disodium;hydride;(propanoyloxyamino) propanoate is CCC(=O)ONOC(=O)CC.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;(propanoyloxyamino) propanoate?
The InChIKey is NZBICDWPZHZWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.2Na.2H/c1-3-5(8)10-7-11-6(9)4-2;;;;/h7H,3-4H2,1-2H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;(propanoyloxyamino) propanoate?
disodium;hydride;(propanoyloxyamino) propanoate has a molecular weight of 209.15 g/mol, XLogP of -5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;(propanoyloxyamino) propanoate is sourced from PubChem (CID 175458235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).