ethyl (3S)-3-acetamido-5-methylhexanoate

C11H21NO3 — CID 135075554

IUPACethyl (3S)-3-acetamido-5-methylhexanoate
SMILESCCOC(=O)C[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C11H21NO3/c1-5-15-11(14)7-10(6-8(2)3)12-9(4)13/h8,10H,5-7H2,1-4H3,(H,12,13)/t10-/m0/s1
InChIKeyVQIHJFDMBLQJBN-JTQLQIEISA-N
MW215.29 g/mol
LogP1.49
Rot. Bonds6

About ethyl (3S)-3-acetamido-5-methylhexanoate

ethyl (3S)-3-acetamido-5-methylhexanoate (PubChem CID 135075554) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl (3S)-3-acetamido-5-methylhexanoate.

Molecular Properties

Compound Nameethyl (3S)-3-acetamido-5-methylhexanoate
PubChem CID135075554
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl (3S)-3-acetamido-5-methylhexanoate
SMILESCCOC(=O)C[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C11H21NO3/c1-5-15-11(14)7-10(6-8(2)3)12-9(4)13/h8,10H,5-7H2,1-4H3,(H,12,13)/t10-/m0/s1
InChIKeyVQIHJFDMBLQJBN-JTQLQIEISA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (3S)-3-acetamido-5-methylhexanoate 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 ethyl (3S)-3-acetamido-5-methylhexanoate?
The IUPAC name of ethyl (3S)-3-acetamido-5-methylhexanoate (CID 135075554) is ethyl (3S)-3-acetamido-5-methylhexanoate.
What is the SMILES notation for ethyl (3S)-3-acetamido-5-methylhexanoate?
The canonical SMILES for ethyl (3S)-3-acetamido-5-methylhexanoate is CCOC(=O)C[C@H](CC(C)C)NC(C)=O.
What is the InChIKey of ethyl (3S)-3-acetamido-5-methylhexanoate?
The InChIKey is VQIHJFDMBLQJBN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-15-11(14)7-10(6-8(2)3)12-9(4)13/h8,10H,5-7H2,1-4H3,(H,12,13)/t10-/m0/s1.
What are the key properties of ethyl (3S)-3-acetamido-5-methylhexanoate?
ethyl (3S)-3-acetamido-5-methylhexanoate has a molecular weight of 215.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-acetamido-5-methylhexanoate is sourced from PubChem (CID 135075554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).