sodium;formamido propanoate;hydride

C4H8NNaO3 — CID 174830035

IUPACsodium;formamido propanoate;hydride
SMILESCCC(=O)ONC=O.[H-].[Na+]
InChIInChI=1S/C4H7NO3.Na.H/c1-2-4(7)8-5-3-6;;/h3H,2H2,1H3,(H,5,6);;/q;+1;-1
InChIKeyJARAFWRWCJJUMF-UHFFFAOYSA-N
MW141.10 g/mol
LogP-3.28
Rot. Bonds3

About sodium;formamido propanoate;hydride

sodium;formamido propanoate;hydride (PubChem CID 174830035) has the molecular formula C4H8NNaO3 and a molecular weight of 141.10 g/mol. Its IUPAC name is sodium;formamido propanoate;hydride.

Molecular Properties

Compound Namesodium;formamido propanoate;hydride
PubChem CID174830035
Molecular FormulaC4H8NNaO3
Molecular Weight141.10 g/mol
Exact Mass141.04
IUPAC Namesodium;formamido propanoate;hydride
SMILESCCC(=O)ONC=O.[H-].[Na+]
InChIInChI=1S/C4H7NO3.Na.H/c1-2-4(7)8-5-3-6;;/h3H,2H2,1H3,(H,5,6);;/q;+1;-1
InChIKeyJARAFWRWCJJUMF-UHFFFAOYSA-N
XLogP-3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-3.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydride;(propanoyloxyamino) propanoate
CID 175458235
formamido pentanoate
CID 88804872
potassium;3-formamidooxy-3-oxopropanoic acid;hydride
CID 174419070
sodium;formamido (Z)-octadec-9-enoate;hydride
CID 175201611
formic acid;methyl propanoate
CID 161212628
lithium;hydride;methyl propanoate
CID 174158387
formamido 2-cyclopentylacetate
CID 155211748
formamidomethyl propanoate
CID 174432270
disodium;carboxy propanoate;hydride
CID 174329569
(phosphorosoamino) propanoate
CID 134211328
(2-ethylhydrazinyl) propanoate
CID 140581443
propanoyl (113C)propanoate
CID 91179573

Frequently Asked Questions

What is the IUPAC name of sodium;formamido propanoate;hydride?
The IUPAC name of sodium;formamido propanoate;hydride (CID 174830035) is sodium;formamido propanoate;hydride.
What is the SMILES notation for sodium;formamido propanoate;hydride?
The canonical SMILES for sodium;formamido propanoate;hydride is CCC(=O)ONC=O.[H-].[Na+].
What is the InChIKey of sodium;formamido propanoate;hydride?
The InChIKey is JARAFWRWCJJUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.Na.H/c1-2-4(7)8-5-3-6;;/h3H,2H2,1H3,(H,5,6);;/q;+1;-1.
What are the key properties of sodium;formamido propanoate;hydride?
sodium;formamido propanoate;hydride has a molecular weight of 141.10 g/mol, XLogP of -3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formamido propanoate;hydride is sourced from PubChem (CID 174830035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).