3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid

C10H19NO5S — CID 120522818

IUPAC3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H19NO5S/c1-7(5-9(13)14)11-8(12)6-17(15,16)10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyLCHUGLJTKDPTSA-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.18
Rot. Bonds5

About 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid

3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid (PubChem CID 120522818) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid
PubChem CID120522818
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H19NO5S/c1-7(5-9(13)14)11-8(12)6-17(15,16)10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyLCHUGLJTKDPTSA-UHFFFAOYSA-N
XLogP0.18
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butylsulfonylacetyl)amino]acetic acid
CID 120513598
3-[(2-propylsulfonylacetyl)amino]butanoic acid
CID 115730963
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
CID 178200147
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
3-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]butanoic acid
CID 120522738
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61160431
3-(2-tert-butylsulfonylethylsulfinyl)butanoic acid
CID 106728544

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid?
The IUPAC name of 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid (CID 120522818) is 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid?
The InChIKey is LCHUGLJTKDPTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-7(5-9(13)14)11-8(12)6-17(15,16)10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid?
3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylsulfonylacetyl)amino]butanoic acid is sourced from PubChem (CID 120522818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).