(3S)-4-ethoxy-3-methylbutanoic acid

C7H14O3 — CID 59960254

IUPAC(3S)-4-ethoxy-3-methylbutanoic acid
SMILESCCOC[C@@H](C)CC(=O)O
InChIInChI=1S/C7H14O3/c1-3-10-5-6(2)4-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyAAZHYXVEHBNDMA-LURJTMIESA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds5

About (3S)-4-ethoxy-3-methylbutanoic acid

(3S)-4-ethoxy-3-methylbutanoic acid (PubChem CID 59960254) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3S)-4-ethoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name(3S)-4-ethoxy-3-methylbutanoic acid
PubChem CID59960254
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(3S)-4-ethoxy-3-methylbutanoic acid
SMILESCCOC[C@@H](C)CC(=O)O
InChIInChI=1S/C7H14O3/c1-3-10-5-6(2)4-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyAAZHYXVEHBNDMA-LURJTMIESA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethoxyethane;3-hydroxybutanoic acid
CID 86729964
5-(1-ethoxypropan-2-ylcarbamoylamino)-3-methyl-5-oxopentanoic acid
CID 62964497
(3S)-4-(difluoromethoxy)-3-methylbutanoic acid
CID 88623529
strontium;hydride;3-methylpentanedioic acid
CID 173490798
3-methyloctanoic acid
CID 5312327
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62965265
2-[(3-ethoxy-2-methylpropyl)sulfonyl-methylamino]acetic acid
CID 122067715
1-ethoxy-5-methoxy-4-methylpentan-2-one
CID 105114767
4-(4-ethoxybutanoylamino)-3-methylbutanoic acid
CID 81063028
3-methyl-4-nitrosobutanoic acid
CID 57071585
3-ethoxybutanoic acid
CID 20508399
3-methylnonadecanoic acid
CID 13392624

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethoxy-3-methylbutanoic acid?
The IUPAC name of (3S)-4-ethoxy-3-methylbutanoic acid (CID 59960254) is (3S)-4-ethoxy-3-methylbutanoic acid.
What is the SMILES notation for (3S)-4-ethoxy-3-methylbutanoic acid?
The canonical SMILES for (3S)-4-ethoxy-3-methylbutanoic acid is CCOC[C@@H](C)CC(=O)O.
What is the InChIKey of (3S)-4-ethoxy-3-methylbutanoic acid?
The InChIKey is AAZHYXVEHBNDMA-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-3-10-5-6(2)4-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (3S)-4-ethoxy-3-methylbutanoic acid?
(3S)-4-ethoxy-3-methylbutanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethoxy-3-methylbutanoic acid is sourced from PubChem (CID 59960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).