disodium;2-aminohexanedioic acid;hydride

C6H13NNa2O4 — CID 174674537

IUPACdisodium;2-aminohexanedioic acid;hydride
SMILESNC(CCCC(=O)O)C(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H11NO4.2Na.2H/c7-4(6(10)11)2-1-3-5(8)9;;;;/h4H,1-3,7H2,(H,8,9)(H,10,11);;;;/q;2*+1;2*-1
InChIKeyWXFHVANCROZJGT-UHFFFAOYSA-N
MW209.15 g/mol
LogP-6.11
Rot. Bonds5

About disodium;2-aminohexanedioic acid;hydride

disodium;2-aminohexanedioic acid;hydride (PubChem CID 174674537) has the molecular formula C6H13NNa2O4 and a molecular weight of 209.15 g/mol. Its IUPAC name is disodium;2-aminohexanedioic acid;hydride.

Molecular Properties

Compound Namedisodium;2-aminohexanedioic acid;hydride
PubChem CID174674537
Molecular FormulaC6H13NNa2O4
Molecular Weight209.15 g/mol
Exact Mass209.06
IUPAC Namedisodium;2-aminohexanedioic acid;hydride
SMILESNC(CCCC(=O)O)C(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H11NO4.2Na.2H/c7-4(6(10)11)2-1-3-5(8)9;;;;/h4H,1-3,7H2,(H,8,9)(H,10,11);;;;/q;2*+1;2*-1
InChIKeyWXFHVANCROZJGT-UHFFFAOYSA-N
XLogP-6.11
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 5-6.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
(2S)-2-aminohexanedioic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 162161622
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
2-aminohexanedioic acid;2-oxohexanedioic acid
CID 175488251
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
potassium;2-aminopentanedioic acid;hydride
CID 173070457
2-aminooctanedioic acid;2-aminopropanedioic acid
CID 159597663
2-aminopentanoic acid;pentanoic acid
CID 158644900
bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274
2-aminohexanedioic acid;2-oxohexanedioic acid;urea
CID 175488248
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of disodium;2-aminohexanedioic acid;hydride?
The IUPAC name of disodium;2-aminohexanedioic acid;hydride (CID 174674537) is disodium;2-aminohexanedioic acid;hydride.
What is the SMILES notation for disodium;2-aminohexanedioic acid;hydride?
The canonical SMILES for disodium;2-aminohexanedioic acid;hydride is NC(CCCC(=O)O)C(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;2-aminohexanedioic acid;hydride?
The InChIKey is WXFHVANCROZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.2Na.2H/c7-4(6(10)11)2-1-3-5(8)9;;;;/h4H,1-3,7H2,(H,8,9)(H,10,11);;;;/q;2*+1;2*-1.
What are the key properties of disodium;2-aminohexanedioic acid;hydride?
disodium;2-aminohexanedioic acid;hydride has a molecular weight of 209.15 g/mol, XLogP of -6.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-aminohexanedioic acid;hydride is sourced from PubChem (CID 174674537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).