sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate

C5H10NNaO5 — CID 23689119

IUPACsodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate
SMILESN[C@@H](CCC(=O)[O-])C(=O)O.O.[Na+]
InChIInChI=1S/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1
InChIKeyGJBHGUUFMNITCI-QTNFYWBSSA-M
MW187.13 g/mol
LogP-5.89
Rot. Bonds4

About sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate

sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate (PubChem CID 23689119) has the molecular formula C5H10NNaO5 and a molecular weight of 187.13 g/mol. Its IUPAC name is sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate.

Molecular Properties

Compound Namesodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate
PubChem CID23689119
Molecular FormulaC5H10NNaO5
Molecular Weight187.13 g/mol
Exact Mass187.05
IUPAC Namesodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate
SMILESN[C@@H](CCC(=O)[O-])C(=O)O.O.[Na+]
InChIInChI=1S/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1
InChIKeyGJBHGUUFMNITCI-QTNFYWBSSA-M
XLogP-5.89
TPSA134.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-5.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate?
The IUPAC name of sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate (CID 23689119) is sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate.
What is the SMILES notation for sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate?
The canonical SMILES for sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate is N[C@@H](CCC(=O)[O-])C(=O)O.O.[Na+].
What is the InChIKey of sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate?
The InChIKey is GJBHGUUFMNITCI-QTNFYWBSSA-M. The full InChI is InChI=1S/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1.
What are the key properties of sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate?
sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate has a molecular weight of 187.13 g/mol, XLogP of -5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate is sourced from PubChem (CID 23689119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).