ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate

C9H17NO5S — CID 4670529

IUPACethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C9H17NO5S/c1-4-15-9(12)5-10-8(11)6-16(13,14)7(2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyFKJINDPJORONEY-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.51
Rot. Bonds6

About ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate

ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate (PubChem CID 4670529) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate
PubChem CID4670529
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C9H17NO5S/c1-4-15-9(12)5-10-8(11)6-16(13,14)7(2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyFKJINDPJORONEY-UHFFFAOYSA-N
XLogP-0.51
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate (CID 4670529) is ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate is CCOC(=O)CNC(=O)CS(=O)(=O)C(C)C.
What is the InChIKey of ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate?
The InChIKey is FKJINDPJORONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-4-15-9(12)5-10-8(11)6-16(13,14)7(2)3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate?
ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate has a molecular weight of 251.30 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate is sourced from PubChem (CID 4670529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).