(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide

C11H22N2O2 — CID 61154414

IUPAC(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-10(12)11(14)13-9-3-5-15-6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyXEWIBYHXKXFISR-JTQLQIEISA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide

(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide (PubChem CID 61154414) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide
PubChem CID61154414
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-10(12)11(14)13-9-3-5-15-6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyXEWIBYHXKXFISR-JTQLQIEISA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide 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 (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide (CID 61154414) is (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide is CC(C)C[C@H](N)C(=O)NC1CCOCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide?
The InChIKey is XEWIBYHXKXFISR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)7-10(12)11(14)13-9-3-5-15-6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide is sourced from PubChem (CID 61154414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).