2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid

C10H19NO4S — CID 114940643

IUPAC2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCOC(C)(C)CNC(=O)CSCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-4-15-10(2,3)7-11-8(12)5-16-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyUVDOFHNOFSGWJC-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.74
Rot. Bonds8

About 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 114940643) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID114940643
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCOC(C)(C)CNC(=O)CSCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-4-15-10(2,3)7-11-8(12)5-16-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyUVDOFHNOFSGWJC-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 114940643) is 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid is CCOC(C)(C)CNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is UVDOFHNOFSGWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-15-10(2,3)7-11-8(12)5-16-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 249.33 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 114940643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).