N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide

C10H21NO2 — CID 59016093

IUPACN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-8(4)9(6-12)11-10(13)7(2)3/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t8-,9-/m1/s1
InChIKeyHWDGVXHPWUYOOI-RKDXNWHRSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds5

About N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide

N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide (PubChem CID 59016093) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide
PubChem CID59016093
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-8(4)9(6-12)11-10(13)7(2)3/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t8-,9-/m1/s1
InChIKeyHWDGVXHPWUYOOI-RKDXNWHRSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide 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 N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide (CID 59016093) is N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide is CC[C@@H](C)[C@@H](CO)NC(=O)C(C)C.
What is the InChIKey of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide?
The InChIKey is HWDGVXHPWUYOOI-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(4)9(6-12)11-10(13)7(2)3/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t8-,9-/m1/s1.
What are the key properties of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide?
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide has a molecular weight of 187.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59016093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).