2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid

C11H17NO3S — CID 43244925

IUPAC2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCC(SCC(=O)N(C)C1=CCCC1)C(=O)O
InChIInChI=1S/C11H17NO3S/c1-8(11(14)15)16-7-10(13)12(2)9-5-3-4-6-9/h5,8H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyGEVRNWJQLJZLOO-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.72
Rot. Bonds5

About 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid

2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 43244925) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID43244925
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCC(SCC(=O)N(C)C1=CCCC1)C(=O)O
InChIInChI=1S/C11H17NO3S/c1-8(11(14)15)16-7-10(13)12(2)9-5-3-4-6-9/h5,8H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyGEVRNWJQLJZLOO-UHFFFAOYSA-N
XLogP1.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid (CID 43244925) is 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid is CC(SCC(=O)N(C)C1=CCCC1)C(=O)O.
What is the InChIKey of 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is GEVRNWJQLJZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(11(14)15)16-7-10(13)12(2)9-5-3-4-6-9/h5,8H,3-4,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 243.33 g/mol, XLogP of 1.72, 5 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(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43244925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).