4-(thiophen-2-ylmethoxy)pentanoic acid

C10H14O3S — CID 62215052

IUPAC4-(thiophen-2-ylmethoxy)pentanoic acid
SMILESCC(CCC(=O)O)OCc1cccs1
InChIInChI=1S/C10H14O3S/c1-8(4-5-10(11)12)13-7-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeySVMLEZVTRFHAPO-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.52
Rot. Bonds6

About 4-(thiophen-2-ylmethoxy)pentanoic acid

4-(thiophen-2-ylmethoxy)pentanoic acid (PubChem CID 62215052) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxy)pentanoic acid.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxy)pentanoic acid
PubChem CID62215052
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name4-(thiophen-2-ylmethoxy)pentanoic acid
SMILESCC(CCC(=O)O)OCc1cccs1
InChIInChI=1S/C10H14O3S/c1-8(4-5-10(11)12)13-7-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeySVMLEZVTRFHAPO-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-2-ylmethoxy)butan-1-amine
CID 114995869
N-propan-2-yl-3-(thiophen-2-ylmethoxy)butan-1-amine
CID 115000398
4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid
CID 25178168
3-(thiophen-2-ylmethoxy)butanenitrile
CID 114995813
4-[(4-chlorophenyl)methoxy]pentanoic acid
CID 65127017
3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
CID 63568785
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-(thiophen-2-ylmethoxy)butanamide
CID 62898972
thiophen-2-ylmethyl 5-aminohexanoate
CID 82846568
2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
CID 114995683
(2S)-2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 10633991
2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 4120536

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethoxy)pentanoic acid?
The IUPAC name of 4-(thiophen-2-ylmethoxy)pentanoic acid (CID 62215052) is 4-(thiophen-2-ylmethoxy)pentanoic acid.
What is the SMILES notation for 4-(thiophen-2-ylmethoxy)pentanoic acid?
The canonical SMILES for 4-(thiophen-2-ylmethoxy)pentanoic acid is CC(CCC(=O)O)OCc1cccs1.
What is the InChIKey of 4-(thiophen-2-ylmethoxy)pentanoic acid?
The InChIKey is SVMLEZVTRFHAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-8(4-5-10(11)12)13-7-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H,11,12).
What are the key properties of 4-(thiophen-2-ylmethoxy)pentanoic acid?
4-(thiophen-2-ylmethoxy)pentanoic acid has a molecular weight of 214.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxy)pentanoic acid is sourced from PubChem (CID 62215052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).