2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid

C11H16N2O3S — CID 62087359

IUPAC2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid
SMILESCOC1CCCC1n1ccnc1SCC(=O)O
InChIInChI=1S/C11H16N2O3S/c1-16-9-4-2-3-8(9)13-6-5-12-11(13)17-7-10(14)15/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeySMKXUMJIDAWYCK-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.80
Rot. Bonds5

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

2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 62087359) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid
PubChem CID62087359
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid
SMILESCOC1CCCC1n1ccnc1SCC(=O)O
InChIInChI=1S/C11H16N2O3S/c1-16-9-4-2-3-8(9)13-6-5-12-11(13)17-7-10(14)15/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeySMKXUMJIDAWYCK-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxycyclopentyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62402392
2-[1-(2-ethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid
CID 54955286
2-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 61221455
1-(2-methoxycyclopentyl)imidazol-2-amine
CID 106569883
2-[1-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid
CID 103967461
1-(2-methoxycyclohexyl)imidazol-2-amine
CID 165483269
2-[1-(6-oxopiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 63663393
2-[1-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-2-yl]sulfanylacetic acid
CID 63318633
2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585437
2-[1-(3-ethoxypropyl)imidazol-2-yl]sulfanylacetic acid
CID 29063800
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 17454224
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid (CID 62087359) is 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid is COC1CCCC1n1ccnc1SCC(=O)O.
What is the InChIKey of 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is SMKXUMJIDAWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-9-4-2-3-8(9)13-6-5-12-11(13)17-7-10(14)15/h5-6,8-9H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid?
2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 256.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxycyclopentyl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 62087359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).