sodium;2-chloropentanedioic acid;hydride

C5H8ClNaO4 — CID 173293436

IUPACsodium;2-chloropentanedioic acid;hydride
SMILESO=C(O)CCC(Cl)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H7ClO4.Na.H/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2H2,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeyGARROXODJAGPNI-UHFFFAOYSA-N
MW190.56 g/mol
LogP-2.34
Rot. Bonds4

About sodium;2-chloropentanedioic acid;hydride

sodium;2-chloropentanedioic acid;hydride (PubChem CID 173293436) has the molecular formula C5H8ClNaO4 and a molecular weight of 190.56 g/mol. Its IUPAC name is sodium;2-chloropentanedioic acid;hydride.

Molecular Properties

Compound Namesodium;2-chloropentanedioic acid;hydride
PubChem CID173293436
Molecular FormulaC5H8ClNaO4
Molecular Weight190.56 g/mol
Exact Mass190.00
IUPAC Namesodium;2-chloropentanedioic acid;hydride
SMILESO=C(O)CCC(Cl)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H7ClO4.Na.H/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2H2,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeyGARROXODJAGPNI-UHFFFAOYSA-N
XLogP-2.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
4-chloro-4-hydroxybutanoic acid
CID 87098344
2,5,5-trichloropentanoic acid
CID 101279897
sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
(2S)-2-sulfanylpentanedioic acid
CID 87305291
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
2,5-dichlorohexanoic acid
CID 101280267
4-aminopentanoic acid;ethane
CID 143436801
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-chloro-5-oxopentanoic acid
CID 54235519
calcium;hydride;2-methylpentanedioic acid
CID 173414295

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloropentanedioic acid;hydride?
The IUPAC name of sodium;2-chloropentanedioic acid;hydride (CID 173293436) is sodium;2-chloropentanedioic acid;hydride.
What is the SMILES notation for sodium;2-chloropentanedioic acid;hydride?
The canonical SMILES for sodium;2-chloropentanedioic acid;hydride is O=C(O)CCC(Cl)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-chloropentanedioic acid;hydride?
The InChIKey is GARROXODJAGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO4.Na.H/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2H2,(H,7,8)(H,9,10);;/q;+1;-1.
What are the key properties of sodium;2-chloropentanedioic acid;hydride?
sodium;2-chloropentanedioic acid;hydride has a molecular weight of 190.56 g/mol, XLogP of -2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-chloropentanedioic acid;hydride is sourced from PubChem (CID 173293436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).