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

C5H12N2O4 — CID 23618774

IUPACazanium (2S)-2-amino-5-hydroxy-5-oxopentanoate
SMILESN[C@@H](CCC(=O)O)C(=O)[O-].[NH4+]
InChIInChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
InChIKeyPHKGGXPMPXXISP-DFWYDOINSA-N
MW164.16 g/mol
LogP-1.70
Rot. Bonds4

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

azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate (PubChem CID 23618774) has the molecular formula C5H12N2O4 and a molecular weight of 164.16 g/mol. Its IUPAC name is azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Nameazanium (2S)-2-amino-5-hydroxy-5-oxopentanoate
PubChem CID23618774
Molecular FormulaC5H12N2O4
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Nameazanium (2S)-2-amino-5-hydroxy-5-oxopentanoate
SMILESN[C@@H](CCC(=O)O)C(=O)[O-].[NH4+]
InChIInChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
InChIKeyPHKGGXPMPXXISP-DFWYDOINSA-N
XLogP-1.70
TPSA139.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
The IUPAC name of azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate (CID 23618774) is azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate.
What is the SMILES notation for azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
The canonical SMILES for azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate is N[C@@H](CCC(=O)O)C(=O)[O-].[NH4+].
What is the InChIKey of azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
The InChIKey is PHKGGXPMPXXISP-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1.
What are the key properties of azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate?
azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate has a molecular weight of 164.16 g/mol, XLogP of -1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2S)-2-amino-5-hydroxy-5-oxopentanoate is sourced from PubChem (CID 23618774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).