2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate

C9H17NO4S — CID 145330839

IUPAC2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate
SMILESCCOCCOC(=O)CNC(=O)C(C)S
InChIInChI=1S/C9H17NO4S/c1-3-13-4-5-14-8(11)6-10-9(12)7(2)15/h7,15H,3-6H2,1-2H3,(H,10,12)
InChIKeyCJSFRJZUMIKNLN-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.00
Rot. Bonds7

About 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate

2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate (PubChem CID 145330839) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate
PubChem CID145330839
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate
SMILESCCOCCOC(=O)CNC(=O)C(C)S
InChIInChI=1S/C9H17NO4S/c1-3-13-4-5-14-8(11)6-10-9(12)7(2)15/h7,15H,3-6H2,1-2H3,(H,10,12)
InChIKeyCJSFRJZUMIKNLN-UHFFFAOYSA-N
XLogP0.00
TPSA64.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-[[(2S)-2-sulfanylpropanoyl]amino]acetate
CID 124677164
propan-2-yl 2-(2-sulfanylpropanoylamino)acetate
CID 86138159
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-ethoxyethyl 2-fluoroacetate
CID 88537895
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate?
The IUPAC name of 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate (CID 145330839) is 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate is CCOCCOC(=O)CNC(=O)C(C)S.
What is the InChIKey of 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate?
The InChIKey is CJSFRJZUMIKNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-3-13-4-5-14-8(11)6-10-9(12)7(2)15/h7,15H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate?
2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate has a molecular weight of 235.30 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(2-sulfanylpropanoylamino)acetate is sourced from PubChem (CID 145330839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).