(2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide

C11H23NO3 — CID 134874963

IUPAC(2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide
SMILESCC[C@H](O)[C@@H](C)C(=O)N(C)[C@@H](C)[C@H](C)O
InChIInChI=1S/C11H23NO3/c1-6-10(14)7(2)11(15)12(5)8(3)9(4)13/h7-10,13-14H,6H2,1-5H3/t7-,8+,9+,10+/m1/s1
InChIKeyHJOFDVLTMUVDAK-KATARQTJSA-N
MW217.31 g/mol
LogP0.62
Rot. Bonds5

About (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide

(2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide (PubChem CID 134874963) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide
PubChem CID134874963
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide
SMILESCC[C@H](O)[C@@H](C)C(=O)N(C)[C@@H](C)[C@H](C)O
InChIInChI=1S/C11H23NO3/c1-6-10(14)7(2)11(15)12(5)8(3)9(4)13/h7-10,13-14H,6H2,1-5H3/t7-,8+,9+,10+/m1/s1
InChIKeyHJOFDVLTMUVDAK-KATARQTJSA-N
XLogP0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide?
The IUPAC name of (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide (CID 134874963) is (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide.
What is the SMILES notation for (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide?
The canonical SMILES for (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide is CC[C@H](O)[C@@H](C)C(=O)N(C)[C@@H](C)[C@H](C)O.
What is the InChIKey of (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide?
The InChIKey is HJOFDVLTMUVDAK-KATARQTJSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-10(14)7(2)11(15)12(5)8(3)9(4)13/h7-10,13-14H,6H2,1-5H3/t7-,8+,9+,10+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide?
(2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide has a molecular weight of 217.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide is sourced from PubChem (CID 134874963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).