2,3-dihydroxy-N,N'-dimethylbutanediamide

C6H12N2O4 — CID 5168238

IUPAC2,3-dihydroxy-N,N'-dimethylbutanediamide
SMILESCNC(=O)C(O)C(O)C(=O)NC
InChIInChI=1S/C6H12N2O4/c1-7-5(11)3(9)4(10)6(12)8-2/h3-4,9-10H,1-2H3,(H,7,11)(H,8,12)
InChIKeyCHDFSSOBPYXWDD-UHFFFAOYSA-N
MW176.17 g/mol
LogP-2.80
Rot. Bonds3

About 2,3-dihydroxy-N,N'-dimethylbutanediamide

2,3-dihydroxy-N,N'-dimethylbutanediamide (PubChem CID 5168238) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2,3-dihydroxy-N,N'-dimethylbutanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N,N'-dimethylbutanediamide
PubChem CID5168238
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2,3-dihydroxy-N,N'-dimethylbutanediamide
SMILESCNC(=O)C(O)C(O)C(=O)NC
InChIInChI=1S/C6H12N2O4/c1-7-5(11)3(9)4(10)6(12)8-2/h3-4,9-10H,1-2H3,(H,7,11)(H,8,12)
InChIKeyCHDFSSOBPYXWDD-UHFFFAOYSA-N
XLogP-2.80
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
CID 59089626
(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
CID 102499782
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
CID 59866873
[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium
CID 6990631
(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen
CID 157267399
2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
CID 143478445
(2R)-2,3-dihydroxy-N-methylpropanamide
CID 89249819
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
(2R)-3-amino-2-hydroxy-N-methylpropanamide
CID 55284383
(2R)-2-chloro-N-methylpropanamide
CID 7130812

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N,N'-dimethylbutanediamide?
The IUPAC name of 2,3-dihydroxy-N,N'-dimethylbutanediamide (CID 5168238) is 2,3-dihydroxy-N,N'-dimethylbutanediamide.
What is the SMILES notation for 2,3-dihydroxy-N,N'-dimethylbutanediamide?
The canonical SMILES for 2,3-dihydroxy-N,N'-dimethylbutanediamide is CNC(=O)C(O)C(O)C(=O)NC.
What is the InChIKey of 2,3-dihydroxy-N,N'-dimethylbutanediamide?
The InChIKey is CHDFSSOBPYXWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-7-5(11)3(9)4(10)6(12)8-2/h3-4,9-10H,1-2H3,(H,7,11)(H,8,12).
What are the key properties of 2,3-dihydroxy-N,N'-dimethylbutanediamide?
2,3-dihydroxy-N,N'-dimethylbutanediamide has a molecular weight of 176.17 g/mol, XLogP of -2.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N,N'-dimethylbutanediamide is sourced from PubChem (CID 5168238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).