(2S)-2-ethoxy-3-methylbutanamide

C7H15NO2 — CID 125457500

IUPAC(2S)-2-ethoxy-3-methylbutanamide
SMILESCCO[C@H](C(N)=O)C(C)C
InChIInChI=1S/C7H15NO2/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)/t6-/m0/s1
InChIKeyOHNLAPQFYRZNJV-LURJTMIESA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds4

About (2S)-2-ethoxy-3-methylbutanamide

(2S)-2-ethoxy-3-methylbutanamide (PubChem CID 125457500) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-ethoxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-3-methylbutanamide
PubChem CID125457500
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-ethoxy-3-methylbutanamide
SMILESCCO[C@H](C(N)=O)C(C)C
InChIInChI=1S/C7H15NO2/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)/t6-/m0/s1
InChIKeyOHNLAPQFYRZNJV-LURJTMIESA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-3-methylbutanamide?
The IUPAC name of (2S)-2-ethoxy-3-methylbutanamide (CID 125457500) is (2S)-2-ethoxy-3-methylbutanamide.
What is the SMILES notation for (2S)-2-ethoxy-3-methylbutanamide?
The canonical SMILES for (2S)-2-ethoxy-3-methylbutanamide is CCO[C@H](C(N)=O)C(C)C.
What is the InChIKey of (2S)-2-ethoxy-3-methylbutanamide?
The InChIKey is OHNLAPQFYRZNJV-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-10-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H2,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-ethoxy-3-methylbutanamide?
(2S)-2-ethoxy-3-methylbutanamide has a molecular weight of 145.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-3-methylbutanamide is sourced from PubChem (CID 125457500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).