N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide

C10H21NO2 — CID 102222778

IUPACN-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@@H](O)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)5-10(13)11-6-9(12)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m1/s1
InChIKeyYCKYNSJEWUMKBY-SECBINFHSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds5

About N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide

N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide (PubChem CID 102222778) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide
PubChem CID102222778
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@@H](O)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)5-10(13)11-6-9(12)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m1/s1
InChIKeyYCKYNSJEWUMKBY-SECBINFHSA-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)-2-hydroxy-3-methylbutyl]-3-methylbutanamide 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)-2-hydroxy-3-methylbutyl]-3-methylbutanamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide (CID 102222778) is N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide is CC(C)CC(=O)NC[C@@H](O)C(C)C.
What is the InChIKey of N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide?
The InChIKey is YCKYNSJEWUMKBY-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)5-10(13)11-6-9(12)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide?
N-[(2S)-2-hydroxy-3-methylbutyl]-3-methylbutanamide 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)-2-hydroxy-3-methylbutyl]-3-methylbutanamide is sourced from PubChem (CID 102222778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).