2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid

C5H9NO5 — CID 59089626

IUPAC2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
SMILESCNC(=O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H9NO5/c1-6-4(9)2(7)3(8)5(10)11/h2-3,7-8H,1H3,(H,6,9)(H,10,11)
InChIKeyVNPSOCFUXDOPMV-UHFFFAOYSA-N
MW163.13 g/mol
LogP-2.46
Rot. Bonds3

About 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid

2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid (PubChem CID 59089626) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
PubChem CID59089626
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
SMILESCNC(=O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H9NO5/c1-6-4(9)2(7)3(8)5(10)11/h2-3,7-8H,1H3,(H,6,9)(H,10,11)
InChIKeyVNPSOCFUXDOPMV-UHFFFAOYSA-N
XLogP-2.46
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
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(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
(3S)-3-acetamido-2-hydroxy-4-(methylamino)-4-oxobutanoic acid
CID 144619182
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid?
The IUPAC name of 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid (CID 59089626) is 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid?
The canonical SMILES for 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid is CNC(=O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid?
The InChIKey is VNPSOCFUXDOPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c1-6-4(9)2(7)3(8)5(10)11/h2-3,7-8H,1H3,(H,6,9)(H,10,11).
What are the key properties of 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid?
2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid has a molecular weight of 163.13 g/mol, XLogP of -2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid is sourced from PubChem (CID 59089626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).