sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride

C7H13N2NaO4 — CID 175518131

IUPACsodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride
SMILESCC#N.N[C@@H](CCC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H9NO4.C2H3N.Na.H/c6-3(5(9)10)1-2-4(7)8;1-2-3;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3;;/q;;+1;-1/t3-;;;/m0.../s1
InChIKeyLWVFQMQICJZGBG-LHWPGRLPSA-N
MW212.18 g/mol
LogP-3.09
Rot. Bonds4

About sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride

sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride (PubChem CID 175518131) has the molecular formula C7H13N2NaO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride.

Molecular Properties

Compound Namesodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride
PubChem CID175518131
Molecular FormulaC7H13N2NaO4
Molecular Weight212.18 g/mol
Exact Mass212.08
IUPAC Namesodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride
SMILESCC#N.N[C@@H](CCC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H9NO4.C2H3N.Na.H/c6-3(5(9)10)1-2-4(7)8;1-2-3;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3;;/q;;+1;-1/t3-;;;/m0.../s1
InChIKeyLWVFQMQICJZGBG-LHWPGRLPSA-N
XLogP-3.09
TPSA124.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-3.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
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

Frequently Asked Questions

What is the IUPAC name of sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride?
The IUPAC name of sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride (CID 175518131) is sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride.
What is the SMILES notation for sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride?
The canonical SMILES for sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride is CC#N.N[C@@H](CCC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride?
The InChIKey is LWVFQMQICJZGBG-LHWPGRLPSA-N. The full InChI is InChI=1S/C5H9NO4.C2H3N.Na.H/c6-3(5(9)10)1-2-4(7)8;1-2-3;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3;;/q;;+1;-1/t3-;;;/m0.../s1.
What are the key properties of sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride?
sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride has a molecular weight of 212.18 g/mol, XLogP of -3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride is sourced from PubChem (CID 175518131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).