2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid

C9H19N3O4S — CID 70945817

IUPAC2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1(C)CCCN1S(=O)(=O)NCC(N)C(=O)O
InChIInChI=1S/C9H19N3O4S/c1-9(2)4-3-5-12(9)17(15,16)11-6-7(10)8(13)14/h7,11H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyAQCBQBDNUGSDME-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.89
Rot. Bonds5

About 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid

2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 70945817) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid
PubChem CID70945817
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1(C)CCCN1S(=O)(=O)NCC(N)C(=O)O
InChIInChI=1S/C9H19N3O4S/c1-9(2)4-3-5-12(9)17(15,16)11-6-7(10)8(13)14/h7,11H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyAQCBQBDNUGSDME-UHFFFAOYSA-N
XLogP-0.89
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]propanoic acid
CID 67154348
(2S)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonylamino]propanoic acid
CID 67154360
(2S)-2-amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945525
2-Amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945526
(2S)-2-amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 70945755
2-Amino-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 70945757
(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 70945762
2-Amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 70945764
(2S)-2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 70945813
1-[(2-Amino-2-carboxyethyl)-sulfinatoamino]-2,2-dimethylpyrrolidine
CID 77233415
(2S)-2-amino-3-[[methyl-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]sulfamoyl]amino]propanoic acid
CID 144190630
2-amino-3-[[(3R,4S)-3-amino-4-(3-boronopropyl)-3-methylpyrrolidin-1-yl]sulfonyl-propan-2-ylamino]propanoic acid
CID 173879173

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid (CID 70945817) is 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid is CC1(C)CCCN1S(=O)(=O)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is AQCBQBDNUGSDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-9(2)4-3-5-12(9)17(15,16)11-6-7(10)8(13)14/h7,11H,3-6,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid?
2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 265.33 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 70945817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).