sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate

C5H8NNaO4 — CID 23672308

IUPACsodium (2S)-2-amino-5-hydroxy-5-oxopentanoate
SMILESN[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChIKeyLPUQAYUQRXPFSQ-DFWYDOINSA-M
MW169.11 g/mol
LogP-5.07
Rot. Bonds4

About sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate

sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate (PubChem CID 23672308) has the molecular formula C5H8NNaO4 and a molecular weight of 169.11 g/mol. Its IUPAC name is sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Namesodium (2S)-2-amino-5-hydroxy-5-oxopentanoate
PubChem CID23672308
Molecular FormulaC5H8NNaO4
Molecular Weight169.11 g/mol
Exact Mass169.04
IUPAC Namesodium (2S)-2-amino-5-hydroxy-5-oxopentanoate
SMILESN[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChIKeyLPUQAYUQRXPFSQ-DFWYDOINSA-M
XLogP-5.07
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.11
LogP ≤ 5-5.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
The IUPAC name of sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate (CID 23672308) is sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate.
What is the SMILES notation for sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
The canonical SMILES for sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate is N[C@@H](CCC(=O)O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
The InChIKey is LPUQAYUQRXPFSQ-DFWYDOINSA-M. The full InChI is InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate has a molecular weight of 169.11 g/mol, XLogP of -5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-2-amino-5-hydroxy-5-oxopentanoate is sourced from PubChem (CID 23672308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).