sodium;2-(butanoylamino)butanedioic acid;hydride

C8H14NNaO5 — CID 174974631

IUPACsodium;2-(butanoylamino)butanedioic acid;hydride
SMILESCCCC(=O)NC(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H13NO5.Na.H/c1-2-3-6(10)9-5(8(13)14)4-7(11)12;;/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyALYGLCLZLDVXEU-UHFFFAOYSA-N
MW227.19 g/mol
LogP-3.05
Rot. Bonds6

About sodium;2-(butanoylamino)butanedioic acid;hydride

sodium;2-(butanoylamino)butanedioic acid;hydride (PubChem CID 174974631) has the molecular formula C8H14NNaO5 and a molecular weight of 227.19 g/mol. Its IUPAC name is sodium;2-(butanoylamino)butanedioic acid;hydride.

Molecular Properties

Compound Namesodium;2-(butanoylamino)butanedioic acid;hydride
PubChem CID174974631
Molecular FormulaC8H14NNaO5
Molecular Weight227.19 g/mol
Exact Mass227.08
IUPAC Namesodium;2-(butanoylamino)butanedioic acid;hydride
SMILESCCCC(=O)NC(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H13NO5.Na.H/c1-2-3-6(10)9-5(8(13)14)4-7(11)12;;/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14);;/q;+1;-1
InChIKeyALYGLCLZLDVXEU-UHFFFAOYSA-N
XLogP-3.05
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 5-3.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butanoylamino)butanedioic acid;zinc
CID 174973870
disodium;(2S)-2-(hexanoylamino)butanedioic acid;hydride
CID 174918684
potassium;hydride;2-(tetradecanoylamino)butanedioic acid
CID 175453509
potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride
CID 174413671
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
2-(butanoylamino)-5-fluoro-4-oxopentanoic acid
CID 141198037
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2S)-2-(4-carboxybutanoylamino)butanedioic acid
CID 87693716
(2S)-2-(butanoylamino)-4-methylselanylbutanoic acid
CID 89313972
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507

Frequently Asked Questions

What is the IUPAC name of sodium;2-(butanoylamino)butanedioic acid;hydride?
The IUPAC name of sodium;2-(butanoylamino)butanedioic acid;hydride (CID 174974631) is sodium;2-(butanoylamino)butanedioic acid;hydride.
What is the SMILES notation for sodium;2-(butanoylamino)butanedioic acid;hydride?
The canonical SMILES for sodium;2-(butanoylamino)butanedioic acid;hydride is CCCC(=O)NC(CC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-(butanoylamino)butanedioic acid;hydride?
The InChIKey is ALYGLCLZLDVXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5.Na.H/c1-2-3-6(10)9-5(8(13)14)4-7(11)12;;/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14);;/q;+1;-1.
What are the key properties of sodium;2-(butanoylamino)butanedioic acid;hydride?
sodium;2-(butanoylamino)butanedioic acid;hydride has a molecular weight of 227.19 g/mol, XLogP of -3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(butanoylamino)butanedioic acid;hydride is sourced from PubChem (CID 174974631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).