[(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium

C5H12NO3+ — CID 148947555

IUPAC[(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium
SMILESC[C@H]([OH2+])[C@H](O)C(=O)CN
InChIInChI=1S/C5H11NO3/c1-3(7)5(9)4(8)2-6/h3,5,7,9H,2,6H2,1H3/p+1/t3-,5-/m0/s1
InChIKeyPPFTYFJBDQDNLS-UCORVYFPSA-O
MW134.15 g/mol
LogP-2.01
Rot. Bonds3

About [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium

[(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium (PubChem CID 148947555) has the molecular formula C5H12NO3+ and a molecular weight of 134.15 g/mol. Its IUPAC name is [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium.

Molecular Properties

Compound Name[(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium
PubChem CID148947555
Molecular FormulaC5H12NO3+
Molecular Weight134.15 g/mol
Exact Mass134.08
IUPAC Name[(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium
SMILESC[C@H]([OH2+])[C@H](O)C(=O)CN
InChIInChI=1S/C5H11NO3/c1-3(7)5(9)4(8)2-6/h3,5,7,9H,2,6H2,1H3/p+1/t3-,5-/m0/s1
InChIKeyPPFTYFJBDQDNLS-UCORVYFPSA-O
XLogP-2.01
TPSA86.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-fluoro-4-methylpentan-2-one
CID 84648185
1,3-diaminobutan-2-one
CID 18683672
(3S)-1-amino-3-hydroxypentan-2-one
CID 126711962
1-amino-3-methylpentan-2-one;hydrochloride
CID 154878698
2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one
CID 159026547
[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
CID 168824974
(3S)-1-amino-3-(methylaminomethylamino)butan-2-one
CID 90346842
(3R)-1-amino-3-methylhex-5-ene-2,4-dione
CID 130198030
5,6-dihydroxyheptane-2,4-dione
CID 156702092
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(2S)-5-amino-2-methyl-4-oxopentanoic acid
CID 122518877
2-aminoacetic acid;ethane-1,2-diamine;2-hydroxypropanoic acid
CID 174737478

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium?
The IUPAC name of [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium (CID 148947555) is [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium.
What is the SMILES notation for [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium?
The canonical SMILES for [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium is C[C@H]([OH2+])[C@H](O)C(=O)CN.
What is the InChIKey of [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium?
The InChIKey is PPFTYFJBDQDNLS-UCORVYFPSA-O. The full InChI is InChI=1S/C5H11NO3/c1-3(7)5(9)4(8)2-6/h3,5,7,9H,2,6H2,1H3/p+1/t3-,5-/m0/s1.
What are the key properties of [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium?
[(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium has a molecular weight of 134.15 g/mol, XLogP of -2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium is sourced from PubChem (CID 148947555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).