(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide

C9H18N2O4 — CID 90478336

IUPAC(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(CC(C)C)[C@H](O)C(=O)NO
InChIInChI=1S/C9H18N2O4/c1-5(2)4-6(8(13)10-3)7(12)9(14)11-15/h5-7,12,15H,4H2,1-3H3,(H,10,13)(H,11,14)/t6?,7-/m0/s1
InChIKeyQOALOSWUHLXFGM-MLWJPKLSSA-N
MW218.25 g/mol
LogP-0.74
Rot. Bonds5

About (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide

(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide (PubChem CID 90478336) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
PubChem CID90478336
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(CC(C)C)[C@H](O)C(=O)NO
InChIInChI=1S/C9H18N2O4/c1-5(2)4-6(8(13)10-3)7(12)9(14)11-15/h5-7,12,15H,4H2,1-3H3,(H,10,13)(H,11,14)/t6?,7-/m0/s1
InChIKeyQOALOSWUHLXFGM-MLWJPKLSSA-N
XLogP-0.74
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide?
The IUPAC name of (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide (CID 90478336) is (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide?
The canonical SMILES for (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide is CNC(=O)C(CC(C)C)[C@H](O)C(=O)NO.
What is the InChIKey of (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide?
The InChIKey is QOALOSWUHLXFGM-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-5(2)4-6(8(13)10-3)7(12)9(14)11-15/h5-7,12,15H,4H2,1-3H3,(H,10,13)(H,11,14)/t6?,7-/m0/s1.
What are the key properties of (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide?
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide has a molecular weight of 218.25 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide is sourced from PubChem (CID 90478336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).