2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid

C6H11NO3S — CID 16789234

IUPAC2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid
SMILESCCNC(=O)CSCC(=O)O
InChIInChI=1S/C6H11NO3S/c1-2-7-5(8)3-11-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyGVWQRENTBAGKFC-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.06
Rot. Bonds5

About 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid

2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 16789234) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid
PubChem CID16789234
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid
SMILESCCNC(=O)CSCC(=O)O
InChIInChI=1S/C6H11NO3S/c1-2-7-5(8)3-11-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyGVWQRENTBAGKFC-UHFFFAOYSA-N
XLogP-0.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid (CID 16789234) is 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid is CCNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is GVWQRENTBAGKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-2-7-5(8)3-11-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 177.22 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 16789234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).