(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid

C9H18N2O4S — CID 70945762

IUPAC(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
SMILESCC1(C)CCCN1S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-9(2)4-3-5-11(9)16(14,15)6-7(10)8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyJQIVHYAWIHJLAC-ZETCQYMHSA-N
MW250.32 g/mol
LogP-0.40
Rot. Bonds4

About (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid

(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid (PubChem CID 70945762) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
PubChem CID70945762
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
SMILESCC1(C)CCCN1S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-9(2)4-3-5-11(9)16(14,15)6-7(10)8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyJQIVHYAWIHJLAC-ZETCQYMHSA-N
XLogP-0.40
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-pyrrolidin-1-ylsulfonylbutanoic acid
CID 67154353
(2S)-2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
CID 67154810
(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid
CID 67154831
(2S)-2-amino-4-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]butanoic acid
CID 68307398
2-(6-Aminohexyl)-1,1-dioxo-1,2-thiazolidine-3-carboxylic acid
CID 69644951
(2S)-2-amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]butanoic acid
CID 70945356
2-Amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
CID 70945484
(2R)-2-amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
CID 70945668
2-Amino-3-pyrrolidin-1-ylsulfonylpropanoic acid
CID 70945671
(2R)-2-amino-3-[(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)sulfonyl]propanoic acid
CID 70945756
2-Amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 70945764
2-Amino-4-pyrrolidin-1-ylsulfonylbutanoic acid
CID 70945769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid (CID 70945762) is (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid is CC1(C)CCCN1S(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid?
The InChIKey is JQIVHYAWIHJLAC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-9(2)4-3-5-11(9)16(14,15)6-7(10)8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid?
(2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 70945762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).