N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide

C10H21NO2 — CID 39237974

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide
SMILESCC(C)C[C@@H](CO)NC(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)5-9(6-12)11-10(13)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m0/s1
InChIKeyGEPXERKRCDRRMM-VIFPVBQESA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds5

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide (PubChem CID 39237974) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide
PubChem CID39237974
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide
SMILESCC(C)C[C@@H](CO)NC(=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)5-9(6-12)11-10(13)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m0/s1
InChIKeyGEPXERKRCDRRMM-VIFPVBQESA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide (CID 39237974) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide is CC(C)C[C@@H](CO)NC(=O)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide?
The InChIKey is GEPXERKRCDRRMM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)5-9(6-12)11-10(13)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide?
N-[(2S)-1-hydroxy-4-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)-1-hydroxy-4-methylpentan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 39237974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).