sodium;2-(2-cyanoethylamino)acetic acid;hydride

C5H9N2NaO2 — CID 173295296

IUPACsodium;2-(2-cyanoethylamino)acetic acid;hydride
SMILESN#CCCNCC(=O)O.[H-].[Na+]
InChIInChI=1S/C5H8N2O2.Na.H/c6-2-1-3-7-4-5(8)9;;/h7H,1,3-4H2,(H,8,9);;/q;+1;-1
InChIKeyQTTKQOXGLITJDV-UHFFFAOYSA-N
MW152.13 g/mol
LogP-3.31
Rot. Bonds4

About sodium;2-(2-cyanoethylamino)acetic acid;hydride

sodium;2-(2-cyanoethylamino)acetic acid;hydride (PubChem CID 173295296) has the molecular formula C5H9N2NaO2 and a molecular weight of 152.13 g/mol. Its IUPAC name is sodium;2-(2-cyanoethylamino)acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-(2-cyanoethylamino)acetic acid;hydride
PubChem CID173295296
Molecular FormulaC5H9N2NaO2
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Namesodium;2-(2-cyanoethylamino)acetic acid;hydride
SMILESN#CCCNCC(=O)O.[H-].[Na+]
InChIInChI=1S/C5H8N2O2.Na.H/c6-2-1-3-7-4-5(8)9;;/h7H,1,3-4H2,(H,8,9);;/q;+1;-1
InChIKeyQTTKQOXGLITJDV-UHFFFAOYSA-N
XLogP-3.31
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 5-3.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-(pent-3-ynylamino)acetic acid
CID 104808695
3-(2-cyanoethylamino)propanenitrile
CID 160846337
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
3-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466426
3-[(4-hydroxy-3,3-dimethyl-2-oxobutyl)amino]propanenitrile
CID 88514359
2-(carboxymethylamino)acetic acid
CID 8897
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538

Frequently Asked Questions

What is the IUPAC name of sodium;2-(2-cyanoethylamino)acetic acid;hydride?
The IUPAC name of sodium;2-(2-cyanoethylamino)acetic acid;hydride (CID 173295296) is sodium;2-(2-cyanoethylamino)acetic acid;hydride.
What is the SMILES notation for sodium;2-(2-cyanoethylamino)acetic acid;hydride?
The canonical SMILES for sodium;2-(2-cyanoethylamino)acetic acid;hydride is N#CCCNCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-(2-cyanoethylamino)acetic acid;hydride?
The InChIKey is QTTKQOXGLITJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.Na.H/c6-2-1-3-7-4-5(8)9;;/h7H,1,3-4H2,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;2-(2-cyanoethylamino)acetic acid;hydride?
sodium;2-(2-cyanoethylamino)acetic acid;hydride has a molecular weight of 152.13 g/mol, XLogP of -3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2-cyanoethylamino)acetic acid;hydride is sourced from PubChem (CID 173295296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).