2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid

C10H19NO5S — CID 119206205

IUPAC2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CS(=O)(=O)CC(C)C
InChIInChI=1S/C10H19NO5S/c1-4-11(5-10(13)14)9(12)7-17(15,16)6-8(2)3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyFHDVGVUHJTYSJS-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.01
Rot. Bonds7

About 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid

2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid (PubChem CID 119206205) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid
PubChem CID119206205
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CS(=O)(=O)CC(C)C
InChIInChI=1S/C10H19NO5S/c1-4-11(5-10(13)14)9(12)7-17(15,16)6-8(2)3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyFHDVGVUHJTYSJS-UHFFFAOYSA-N
XLogP-0.01
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
2-[(2-tert-butylsulfonylacetyl)-ethylamino]acetic acid
CID 120519896
N-(2-methylpropyl)-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78882883
2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
CID 61021269
2-[ethyl-(3-methyl-4-oxobutanoyl)amino]acetic acid
CID 122413110
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
CID 119205182
N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide
CID 114232868
2-[ethyl(4-fluoroheptanoyl)amino]acetic acid
CID 101279726
2-[ethyl-[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetic acid
CID 61022830

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid (CID 119206205) is 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CS(=O)(=O)CC(C)C.
What is the InChIKey of 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid?
The InChIKey is FHDVGVUHJTYSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-4-11(5-10(13)14)9(12)7-17(15,16)6-8(2)3/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid?
2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid has a molecular weight of 265.33 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methylpropylsulfonyl)acetyl]amino]acetic acid is sourced from PubChem (CID 119206205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).