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

C5H10NNaO4 — CID 172998244

IUPACsodium;(2R)-2-aminopentanedioic acid;hydride
SMILESN[C@H](CCC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H9NO4.Na.H/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;+1;-1/t3-;;/m1../s1
InChIKeyWXZYMTWJEQKTSY-HWYNEVGZSA-N
MW171.13 g/mol
LogP-3.62
Rot. Bonds4

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

sodium;(2R)-2-aminopentanedioic acid;hydride (PubChem CID 172998244) has the molecular formula C5H10NNaO4 and a molecular weight of 171.13 g/mol. Its IUPAC name is sodium;(2R)-2-aminopentanedioic acid;hydride.

Molecular Properties

Compound Namesodium;(2R)-2-aminopentanedioic acid;hydride
PubChem CID172998244
Molecular FormulaC5H10NNaO4
Molecular Weight171.13 g/mol
Exact Mass171.05
IUPAC Namesodium;(2R)-2-aminopentanedioic acid;hydride
SMILESN[C@H](CCC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H9NO4.Na.H/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;+1;-1/t3-;;/m1../s1
InChIKeyWXZYMTWJEQKTSY-HWYNEVGZSA-N
XLogP-3.62
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-3.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
potassium;2-aminopentanedioic acid;hydride
CID 173070457
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
magnesium;(2S)-2-aminopentanedioic acid;hydride;hydrochloride
CID 173441751
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-aminopentanedioic acid;hydride?
The IUPAC name of sodium;(2R)-2-aminopentanedioic acid;hydride (CID 172998244) is sodium;(2R)-2-aminopentanedioic acid;hydride.
What is the SMILES notation for sodium;(2R)-2-aminopentanedioic acid;hydride?
The canonical SMILES for sodium;(2R)-2-aminopentanedioic acid;hydride is N[C@H](CCC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(2R)-2-aminopentanedioic acid;hydride?
The InChIKey is WXZYMTWJEQKTSY-HWYNEVGZSA-N. The full InChI is InChI=1S/C5H9NO4.Na.H/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;+1;-1/t3-;;/m1../s1.
What are the key properties of sodium;(2R)-2-aminopentanedioic acid;hydride?
sodium;(2R)-2-aminopentanedioic acid;hydride has a molecular weight of 171.13 g/mol, XLogP of -3.62, 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 is sourced from PubChem (CID 172998244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).