(2S)-2-(2-ethylbutoxy)propanoic acid

C9H18O3 — CID 104876124

IUPAC(2S)-2-(2-ethylbutoxy)propanoic acid
SMILESCCC(CC)CO[C@@H](C)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-8(5-2)6-12-7(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyIULDYSMSYPXKQP-ZETCQYMHSA-N
MW174.24 g/mol
LogP1.91
Rot. Bonds6

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

(2S)-2-(2-ethylbutoxy)propanoic acid (PubChem CID 104876124) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-(2-ethylbutoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-ethylbutoxy)propanoic acid
PubChem CID104876124
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2S)-2-(2-ethylbutoxy)propanoic acid
SMILESCCC(CC)CO[C@@H](C)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-8(5-2)6-12-7(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyIULDYSMSYPXKQP-ZETCQYMHSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
2-[3-bromo-2-(bromomethyl)propoxy]propanoic acid
CID 58644977
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849
2-ethoxypropanoic acid;methane
CID 160636954
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
CID 114208468
2-ethylbutyl 2-methylpropanoate
CID 551315
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylbutoxy)propanoic acid?
The IUPAC name of (2S)-2-(2-ethylbutoxy)propanoic acid (CID 104876124) is (2S)-2-(2-ethylbutoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(2-ethylbutoxy)propanoic acid?
The canonical SMILES for (2S)-2-(2-ethylbutoxy)propanoic acid is CCC(CC)CO[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-ethylbutoxy)propanoic acid?
The InChIKey is IULDYSMSYPXKQP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-8(5-2)6-12-7(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-(2-ethylbutoxy)propanoic acid?
(2S)-2-(2-ethylbutoxy)propanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylbutoxy)propanoic acid is sourced from PubChem (CID 104876124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).