sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate

C5H12NNaO5 — CID 173032516

IUPACsodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
SMILESN[C@H](CCC(=O)O)C(=O)O.O.[H-].[Na+]
InChIInChI=1S/C5H9NO4.Na.H2O.H/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2;/q;+1;;-1/t3-;;;/m1.../s1
InChIKeyOMBGGNVXRPTUEJ-HKYUIQSLSA-N
MW189.14 g/mol
LogP-4.45
Rot. Bonds4

About sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate

sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate (PubChem CID 173032516) has the molecular formula C5H12NNaO5 and a molecular weight of 189.14 g/mol. Its IUPAC name is sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate.

Molecular Properties

Compound Namesodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
PubChem CID173032516
Molecular FormulaC5H12NNaO5
Molecular Weight189.14 g/mol
Exact Mass189.06
IUPAC Namesodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
SMILESN[C@H](CCC(=O)O)C(=O)O.O.[H-].[Na+]
InChIInChI=1S/C5H9NO4.Na.H2O.H/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2;/q;+1;;-1/t3-;;;/m1.../s1
InChIKeyOMBGGNVXRPTUEJ-HKYUIQSLSA-N
XLogP-4.45
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 5-4.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;(2R)-2-aminopentanedioic acid;hydride
CID 172998244
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
potassium;2-aminopentanedioic acid;hydride
CID 173070457
CID 87237505
CID 87237505
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate?
The IUPAC name of sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate (CID 173032516) is sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate.
What is the SMILES notation for sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate?
The canonical SMILES for sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate is N[C@H](CCC(=O)O)C(=O)O.O.[H-].[Na+].
What is the InChIKey of sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate?
The InChIKey is OMBGGNVXRPTUEJ-HKYUIQSLSA-N. The full InChI is InChI=1S/C5H9NO4.Na.H2O.H/c6-3(5(9)10)1-2-4(7)8;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2;/q;+1;;-1/t3-;;;/m1.../s1.
What are the key properties of sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate?
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate has a molecular weight of 189.14 g/mol, XLogP of -4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate is sourced from PubChem (CID 173032516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).