[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium

C5H13N2O2+ — CID 6990631

IUPAC[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium
SMILESCNC(=O)[C@@H]([NH3+])[C@H](C)O
InChIInChI=1S/C5H12N2O2/c1-3(8)4(6)5(9)7-2/h3-4,8H,6H2,1-2H3,(H,7,9)/p+1/t3-,4-/m0/s1
InChIKeyNHXXBNOVHYPMHZ-IMJSIDKUSA-O
MW133.17 g/mol
LogP-2.28
Rot. Bonds2

About [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium

[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium (PubChem CID 6990631) has the molecular formula C5H13N2O2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium
PubChem CID6990631
Molecular FormulaC5H13N2O2+
Molecular Weight133.17 g/mol
Exact Mass133.10
IUPAC Name[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium
SMILESCNC(=O)[C@@H]([NH3+])[C@H](C)O
InChIInChI=1S/C5H12N2O2/c1-3(8)4(6)5(9)7-2/h3-4,8H,6H2,1-2H3,(H,7,9)/p+1/t3-,4-/m0/s1
InChIKeyNHXXBNOVHYPMHZ-IMJSIDKUSA-O
XLogP-2.28
TPSA76.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-2.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
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(2R,3S)-2-azaniumyl-3-hydroxybutanoate
CID 6995277
2-azaniumyl-3-hydroxybutanoate
CID 15341575
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
N-methylacetamide;propan-2-ylazanium
CID 158450921
2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
CID 59089626
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
(2R)-2-chloro-N-methylpropanamide
CID 7130812
(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen
CID 157267399
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
CID 59866873

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium?
The IUPAC name of [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium (CID 6990631) is [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium.
What is the SMILES notation for [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium?
The canonical SMILES for [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium is CNC(=O)[C@@H]([NH3+])[C@H](C)O.
What is the InChIKey of [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium?
The InChIKey is NHXXBNOVHYPMHZ-IMJSIDKUSA-O. The full InChI is InChI=1S/C5H12N2O2/c1-3(8)4(6)5(9)7-2/h3-4,8H,6H2,1-2H3,(H,7,9)/p+1/t3-,4-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium?
[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium has a molecular weight of 133.17 g/mol, XLogP of -2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium is sourced from PubChem (CID 6990631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).