2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid

C10H16N2O3S — CID 29063800

IUPAC2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid
SMILESCCOCCCn1ccnc1SCC(=O)O
InChIInChI=1S/C10H16N2O3S/c1-2-15-7-3-5-12-6-4-11-10(12)16-8-9(13)14/h4,6H,2-3,5,7-8H2,1H3,(H,13,14)
InChIKeyFAFQTSWDGYWDGD-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.49
Rot. Bonds8

About 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid

2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 29063800) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid
PubChem CID29063800
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid
SMILESCCOCCCn1ccnc1SCC(=O)O
InChIInChI=1S/C10H16N2O3S/c1-2-15-7-3-5-12-6-4-11-10(12)16-8-9(13)14/h4,6H,2-3,5,7-8H2,1H3,(H,13,14)
InChIKeyFAFQTSWDGYWDGD-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic 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

2-[1-(3-phenoxypropyl)imidazol-2-yl]sulfanylacetic acid
CID 62380046
2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 62992165
2-[[4-(3-ethoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075420
2-[1-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 114516191
2-[1-(2,2-dimethylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 61167069
2-[1-(2-methylbutyl)imidazol-2-yl]sulfanylacetic acid
CID 62694795
2-[1-(2-ethylhexyl)imidazol-2-yl]sulfanylacetic acid
CID 114004311
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 80688800
2-[1-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-2-yl]sulfanylacetic acid
CID 63318633
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylacetic acid
CID 29063664

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid (CID 29063800) is 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid is CCOCCCn1ccnc1SCC(=O)O.
What is the InChIKey of 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is FAFQTSWDGYWDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-15-7-3-5-12-6-4-11-10(12)16-8-9(13)14/h4,6H,2-3,5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid?
2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 244.32 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 29063800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).