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

C10H15NO3S — CID 43244924

IUPAC2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCN(C(=O)CSCC(=O)O)C1=CCCC1
InChIInChI=1S/C10H15NO3S/c1-11(8-4-2-3-5-8)9(12)6-15-7-10(13)14/h4H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyGEDLXQRTFIYAKX-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.33
Rot. Bonds5

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

2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 43244924) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID43244924
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCN(C(=O)CSCC(=O)O)C1=CCCC1
InChIInChI=1S/C10H15NO3S/c1-11(8-4-2-3-5-8)9(12)6-15-7-10(13)14/h4H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyGEDLXQRTFIYAKX-UHFFFAOYSA-N
XLogP1.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.33
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]sulfanylacetic acid?
The IUPAC name of 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 43244924) is 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid is CN(C(=O)CSCC(=O)O)C1=CCCC1.
What is the InChIKey of 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is GEDLXQRTFIYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-11(8-4-2-3-5-8)9(12)6-15-7-10(13)14/h4H,2-3,5-7H2,1H3,(H,13,14).
What are the key properties of 2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 229.30 g/mol, XLogP of 1.33, 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]sulfanylacetic acid is sourced from PubChem (CID 43244924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).