2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid

C10H19NO5S — CID 120519896

IUPAC2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H19NO5S/c1-5-11(6-9(13)14)8(12)7-17(15,16)10(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyBRSVDYYDMLFVJX-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.13
Rot. Bonds5

About 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid

2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid (PubChem CID 120519896) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid
PubChem CID120519896
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H19NO5S/c1-5-11(6-9(13)14)8(12)7-17(15,16)10(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyBRSVDYYDMLFVJX-UHFFFAOYSA-N
XLogP0.13
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid
CID 120517721
2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid
CID 119206205
2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
CID 61021269
2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
CID 119205182
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
CID 106724307
2-[ethyl(4-fluoroheptanoyl)amino]acetic acid
CID 101279726
2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid
CID 115730705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid (CID 120519896) is 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid?
The InChIKey is BRSVDYYDMLFVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-5-11(6-9(13)14)8(12)7-17(15,16)10(2,3)4/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid?
2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid has a molecular weight of 265.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid is sourced from PubChem (CID 120519896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).