2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid

C11H17NO3S — CID 43238310

IUPAC2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCN(C(=O)CSCC(=O)O)C1=CCCC1
InChIInChI=1S/C11H17NO3S/c1-2-12(9-5-3-4-6-9)10(13)7-16-8-11(14)15/h5H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyJETJLGKFIAPSKU-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.72
Rot. Bonds6

About 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 43238310) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID43238310
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCN(C(=O)CSCC(=O)O)C1=CCCC1
InChIInChI=1S/C11H17NO3S/c1-2-12(9-5-3-4-6-9)10(13)7-16-8-11(14)15/h5H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyJETJLGKFIAPSKU-UHFFFAOYSA-N
XLogP1.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 43238310) is 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid is CCN(C(=O)CSCC(=O)O)C1=CCCC1.
What is the InChIKey of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is JETJLGKFIAPSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-12(9-5-3-4-6-9)10(13)7-16-8-11(14)15/h5H,2-4,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 243.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 43238310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).