(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide

C8H16N2O4 — CID 89095447

IUPAC(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
SMILESCNC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)C
InChIInChI=1S/C8H16N2O4/c1-4(2)10-8(14)6(12)5(11)7(13)9-3/h4-6,11-12H,1-3H3,(H,9,13)(H,10,14)/t5-,6-/m1/s1
InChIKeyCAZLUCXBNUFUQM-PHDIDXHHSA-N
MW204.23 g/mol
LogP-2.02
Rot. Bonds4

About (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide

(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide (PubChem CID 89095447) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
PubChem CID89095447
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
SMILESCNC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)C
InChIInChI=1S/C8H16N2O4/c1-4(2)10-8(14)6(12)5(11)7(13)9-3/h4-6,11-12H,1-3H3,(H,9,13)(H,10,14)/t5-,6-/m1/s1
InChIKeyCAZLUCXBNUFUQM-PHDIDXHHSA-N
XLogP-2.02
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
CID 59089626
(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
CID 102499782
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide
CID 130268305
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
[(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-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
CID 59866873
2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
CID 142455323

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide (CID 89095447) is (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide is CNC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)C.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide?
The InChIKey is CAZLUCXBNUFUQM-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4(2)10-8(14)6(12)5(11)7(13)9-3/h4-6,11-12H,1-3H3,(H,9,13)(H,10,14)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide?
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide has a molecular weight of 204.23 g/mol, XLogP of -2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide is sourced from PubChem (CID 89095447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).