(2S)-2-(2-ethoxypropoxy)propanoic acid

C8H16O4 — CID 151300849

IUPAC(2S)-2-(2-ethoxypropoxy)propanoic acid
SMILESCCOC(C)CO[C@@H](C)C(=O)O
InChIInChI=1S/C8H16O4/c1-4-11-6(2)5-12-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6?,7-/m0/s1
InChIKeyOCJUIKWJIXDDQJ-MLWJPKLSSA-N
MW176.21 g/mol
LogP0.90
Rot. Bonds6

About (2S)-2-(2-ethoxypropoxy)propanoic acid

(2S)-2-(2-ethoxypropoxy)propanoic acid (PubChem CID 151300849) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2S)-2-(2-ethoxypropoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-ethoxypropoxy)propanoic acid
PubChem CID151300849
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2S)-2-(2-ethoxypropoxy)propanoic acid
SMILESCCOC(C)CO[C@@H](C)C(=O)O
InChIInChI=1S/C8H16O4/c1-4-11-6(2)5-12-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6?,7-/m0/s1
InChIKeyOCJUIKWJIXDDQJ-MLWJPKLSSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxypropanoic acid;methane
CID 160636954
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
(2S)-2-(2-ethylbutoxy)propanoic acid
CID 104876124
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
2-ethoxy-2-(2-methoxypropoxy)acetic acid
CID 57284708
3-ethoxybutanoic acid
CID 20508399
2-[3-bromo-2-(bromomethyl)propoxy]propanoic acid
CID 58644977
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
(2S,4R)-2-amino-4-ethoxypentanoic acid
CID 87418096
2-ethoxypropyl 2-sulfanylpropanoate
CID 91229316
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxypropoxy)propanoic acid?
The IUPAC name of (2S)-2-(2-ethoxypropoxy)propanoic acid (CID 151300849) is (2S)-2-(2-ethoxypropoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2-ethoxypropoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2-ethoxypropoxy)propanoic acid is CCOC(C)CO[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-ethoxypropoxy)propanoic acid?
The InChIKey is OCJUIKWJIXDDQJ-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-11-6(2)5-12-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxypropoxy)propanoic acid?
(2S)-2-(2-ethoxypropoxy)propanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxypropoxy)propanoic acid is sourced from PubChem (CID 151300849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).