3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid

C10H18O4 — CID 11148366

IUPAC3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid
SMILESCC[C@]1(CCC(=O)O)CCOC1OC
InChIInChI=1S/C10H18O4/c1-3-10(5-4-8(11)12)6-7-14-9(10)13-2/h9H,3-7H2,1-2H3,(H,11,12)/t9?,10-/m0/s1
InChIKeyFYXHAQFGFFTSTB-AXDSSHIGSA-N
MW202.25 g/mol
LogP1.64
Rot. Bonds5

About 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid

3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid (PubChem CID 11148366) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid
PubChem CID11148366
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid
SMILESCC[C@]1(CCC(=O)O)CCOC1OC
InChIInChI=1S/C10H18O4/c1-3-10(5-4-8(11)12)6-7-14-9(10)13-2/h9H,3-7H2,1-2H3,(H,11,12)/t9?,10-/m0/s1
InChIKeyFYXHAQFGFFTSTB-AXDSSHIGSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Dioxolan-2-yl)-4-methylpentanoic acid
CID 12510590
2-(2-Ethoxy-2-ethyloxolan-3-yl)acetic acid
CID 18432791
3-(1,1-Dimethoxy-2-methylbutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716737
4-(Diethoxymethyl)-2-methylhexanoic acid
CID 18716741
4-(Dimethoxymethyl)-2,2,4-trimethylhexanoic acid
CID 18716742
4-(Dimethoxymethyl)-2-methylhexanoic acid
CID 18716743
1-(3,3-Dimethoxypropyl)cyclopentane-1-carboxylic acid
CID 19920100
4-(1,3-Dioxan-2-yl)-2,2-dimethylhexanoic acid
CID 20705822
4-(1,3-Dioxolan-2-yl)-2,2-dimethylhexanoic acid
CID 20705823
2,2-Bis[2-(2-butoxy-2-ethoxyethoxy)ethyl]pentanedioic acid
CID 21394119
4-(1,3-Dioxolan-2-yl)-2-methylhexanoic acid
CID 22898125
4-(4,4-Dimethyl-1,3-dioxetan-2-yl)-2,2,4-trimethylhexanoic acid
CID 22898127

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid?
The IUPAC name of 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid (CID 11148366) is 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid?
The canonical SMILES for 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid is CC[C@]1(CCC(=O)O)CCOC1OC.
What is the InChIKey of 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid?
The InChIKey is FYXHAQFGFFTSTB-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(5-4-8(11)12)6-7-14-9(10)13-2/h9H,3-7H2,1-2H3,(H,11,12)/t9?,10-/m0/s1.
What are the key properties of 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid?
3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid is sourced from PubChem (CID 11148366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).