(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide

C7H14N2O5 — CID 102499782

IUPAC(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
SMILESCNC(=O)[C@H](O)C(O)[C@@H](O)C(=O)NC
InChIInChI=1S/C7H14N2O5/c1-8-6(13)4(11)3(10)5(12)7(14)9-2/h3-5,10-12H,1-2H3,(H,8,13)(H,9,14)/t4-,5-/m1/s1
InChIKeyFIBONPJHLBKLKO-RFZPGFLSSA-N
MW206.20 g/mol
LogP-3.44
Rot. Bonds4

About (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide

(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide (PubChem CID 102499782) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide.

Molecular Properties

Compound Name(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
PubChem CID102499782
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
SMILESCNC(=O)[C@H](O)C(O)[C@@H](O)C(=O)NC
InChIInChI=1S/C7H14N2O5/c1-8-6(13)4(11)3(10)5(12)7(14)9-2/h3-5,10-12H,1-2H3,(H,8,13)(H,9,14)/t4-,5-/m1/s1
InChIKeyFIBONPJHLBKLKO-RFZPGFLSSA-N
XLogP-3.44
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-3.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
CID 59866873
2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
CID 59089626
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
[(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
(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
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedihydrazide
CID 54515822

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide?
The IUPAC name of (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide (CID 102499782) is (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide.
What is the SMILES notation for (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide?
The canonical SMILES for (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide is CNC(=O)[C@H](O)C(O)[C@@H](O)C(=O)NC.
What is the InChIKey of (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide?
The InChIKey is FIBONPJHLBKLKO-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-8-6(13)4(11)3(10)5(12)7(14)9-2/h3-5,10-12H,1-2H3,(H,8,13)(H,9,14)/t4-,5-/m1/s1.
What are the key properties of (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide?
(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide has a molecular weight of 206.20 g/mol, XLogP of -3.44, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide is sourced from PubChem (CID 102499782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).