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

CID 29063509
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CID 29063767
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CID 29063770
CID 29063770
CID 29063855
CID 29063855
CID 43148498
CID 43148498
CID 43148500
CID 43148500
CID 43148502
CID 43148502
CID 43148503
CID 43148503
CID 43148508
CID 43148508
CID 43534230
CID 43534230
CID 44908284
CID 44908284
CID 54950333
CID 54950333

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).