(2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

C17H32N4O5 — CID 11793654

IUPAC(2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NC(C)=O)C(=O)NO)C(C)(C)C
InChIInChI=1S/C17H32N4O5/c1-9(2)8-11(12(15(24)21-26)19-10(3)22)14(23)20-13(16(25)18-7)17(4,5)6/h9,11-13,26H,8H2,1-7H3,(H,18,25)(H,19,22)(H,20,23)(H,21,24)/t11-,12+,13-/m1/s1
InChIKeyIIQIBWBQUSDCNG-FRRDWIJNSA-N
MW372.47 g/mol
LogP-0.06
Rot. Bonds8

About (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

(2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 11793654) has the molecular formula C17H32N4O5 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
PubChem CID11793654
Molecular FormulaC17H32N4O5
Molecular Weight372.47 g/mol
Exact Mass372.24
IUPAC Name(2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NC(C)=O)C(=O)NO)C(C)(C)C
InChIInChI=1S/C17H32N4O5/c1-9(2)8-11(12(15(24)21-26)19-10(3)22)14(23)20-13(16(25)18-7)17(4,5)6/h9,11-13,26H,8H2,1-7H3,(H,18,25)(H,19,22)(H,20,23)(H,21,24)/t11-,12+,13-/m1/s1
InChIKeyIIQIBWBQUSDCNG-FRRDWIJNSA-N
XLogP-0.06
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (CID 11793654) is (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NC(C)=O)C(=O)NO)C(C)(C)C.
What is the InChIKey of (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is IIQIBWBQUSDCNG-FRRDWIJNSA-N. The full InChI is InChI=1S/C17H32N4O5/c1-9(2)8-11(12(15(24)21-26)19-10(3)22)14(23)20-13(16(25)18-7)17(4,5)6/h9,11-13,26H,8H2,1-7H3,(H,18,25)(H,19,22)(H,20,23)(H,21,24)/t11-,12+,13-/m1/s1.
What are the key properties of (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
(2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 372.47 g/mol, XLogP of -0.06, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-acetamido-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 11793654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).