3-ethyl-2-(methoxymethyl)pentanoic acid

C9H18O3 — CID 90976755

IUPAC3-ethyl-2-(methoxymethyl)pentanoic acid
SMILESCCC(CC)C(COC)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-7(5-2)8(6-12-3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyQATAVCFKWVAJIS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.77
Rot. Bonds6

About 3-ethyl-2-(methoxymethyl)pentanoic acid

3-ethyl-2-(methoxymethyl)pentanoic acid (PubChem CID 90976755) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-ethyl-2-(methoxymethyl)pentanoic acid.

Molecular Properties

Compound Name3-ethyl-2-(methoxymethyl)pentanoic acid
PubChem CID90976755
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-ethyl-2-(methoxymethyl)pentanoic acid
SMILESCCC(CC)C(COC)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-7(5-2)8(6-12-3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyQATAVCFKWVAJIS-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-(methoxymethyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-bis(methoxymethyl)hexane
CID 142709823
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
3-ethyl-1-methoxypentan-2-ol
CID 79568083
2-(acetylsulfanylmethyl)-3-ethylpentanoic acid
CID 139677505
2-ethyl-3-methoxybutanoic acid
CID 54291806
3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 103224864
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
2-(2-methoxyethylsulfonyl)butanoic acid
CID 43808940
3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
CID 103224006
2-(aminomethyl)-4-ethyl-3-methylhexanoic acid
CID 87761013
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(methoxymethyl)pentanoic acid?
The IUPAC name of 3-ethyl-2-(methoxymethyl)pentanoic acid (CID 90976755) is 3-ethyl-2-(methoxymethyl)pentanoic acid.
What is the SMILES notation for 3-ethyl-2-(methoxymethyl)pentanoic acid?
The canonical SMILES for 3-ethyl-2-(methoxymethyl)pentanoic acid is CCC(CC)C(COC)C(=O)O.
What is the InChIKey of 3-ethyl-2-(methoxymethyl)pentanoic acid?
The InChIKey is QATAVCFKWVAJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-7(5-2)8(6-12-3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-ethyl-2-(methoxymethyl)pentanoic acid?
3-ethyl-2-(methoxymethyl)pentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(methoxymethyl)pentanoic acid is sourced from PubChem (CID 90976755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).