methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate

C8H15NO3S — CID 2802548

IUPACmethyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CSC(C)C
InChIInChI=1S/C8H15NO3S/c1-6(2)13-5-7(10)9-4-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyMBCBBWZYZXDQNF-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.42
Rot. Bonds5

About methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate

methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate (PubChem CID 2802548) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate
PubChem CID2802548
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Namemethyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CSC(C)C
InChIInChI=1S/C8H15NO3S/c1-6(2)13-5-7(10)9-4-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyMBCBBWZYZXDQNF-UHFFFAOYSA-N
XLogP0.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate?
The IUPAC name of methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate (CID 2802548) is methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate is COC(=O)CNC(=O)CSC(C)C.
What is the InChIKey of methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate?
The InChIKey is MBCBBWZYZXDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6(2)13-5-7(10)9-4-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate?
methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate has a molecular weight of 205.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-propan-2-ylsulfanylacetyl)amino]acetate is sourced from PubChem (CID 2802548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).