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

C9H17NO4S — CID 104759094

IUPAC2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOC(C)(C)CNC(=O)CSCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-9(2,14-3)6-10-7(11)4-15-5-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyHZMTZTZLTGGFLF-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.35
Rot. Bonds7

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

2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104759094) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104759094
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCOC(C)(C)CNC(=O)CSCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-9(2,14-3)6-10-7(11)4-15-5-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyHZMTZTZLTGGFLF-UHFFFAOYSA-N
XLogP0.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 104759094) is 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid is COC(C)(C)CNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is HZMTZTZLTGGFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-9(2,14-3)6-10-7(11)4-15-5-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104759094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).