2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid

C11H18O3S — CID 65443506

IUPAC2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSC2CCCC2O)CC1
InChIInChI=1S/C11H18O3S/c12-8-2-1-3-9(8)15-7-11(4-5-11)6-10(13)14/h8-9,12H,1-7H2,(H,13,14)
InChIKeyNHVUKCBLCHGABR-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.89
Rot. Bonds5

About 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65443506) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65443506
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSC2CCCC2O)CC1
InChIInChI=1S/C11H18O3S/c12-8-2-1-3-9(8)15-7-11(4-5-11)6-10(13)14/h8-9,12H,1-7H2,(H,13,14)
InChIKeyNHVUKCBLCHGABR-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1S,2S)-2-hydroxycyclohexyl]sulfanylcyclopropyl]acetic acid
CID 126847625
2-(2-hydroxycyclohexyl)sulfanylacetic acid
CID 6611068
2-[1-(oxan-4-ylsulfanylmethyl)cyclopropyl]acetic acid
CID 65442485
2-[1-(4-hydroxybutylsulfanylmethyl)cyclopropyl]acetic acid
CID 65441692
2-[1-(2-butoxyethylsulfanylmethyl)cyclopropyl]acetic acid
CID 65442891
2-[1-[[2-(cycloheptylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65444110
methyl 2-[1-[(2-cyanocycloheptyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777457
2-[1-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65441298
2-[1-[(3-methoxy-3-methylbutyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 103032609
2-[1-(2,3-dihydro-1H-inden-5-ylmethylsulfanylmethyl)cyclopropyl]acetic acid
CID 65444095
2-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]sulfanylmethyl]cyclopropyl]acetic acid
CID 53484505
2-[1-(3-methylbut-3-enylsulfanylmethyl)cyclopropyl]acetic acid
CID 114471353

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid (CID 65443506) is 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid is O=C(O)CC1(CSC2CCCC2O)CC1.
What is the InChIKey of 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is NHVUKCBLCHGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c12-8-2-1-3-9(8)15-7-11(4-5-11)6-10(13)14/h8-9,12H,1-7H2,(H,13,14).
What are the key properties of 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 230.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxycyclopentyl)sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65443506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).