(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid

C10H19NO5S — CID 87292136

IUPAC(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)CS(=O)(=O)O[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-10(2,3)7-17(14,15)16-8-4-5-11(6-8)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyOQZBAEFHZJNVDQ-MRVPVSSYSA-N
MW265.33 g/mol
LogP1.13
Rot. Bonds3

About (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid

(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid (PubChem CID 87292136) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
PubChem CID87292136
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)CS(=O)(=O)O[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-10(2,3)7-17(14,15)16-8-4-5-11(6-8)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyOQZBAEFHZJNVDQ-MRVPVSSYSA-N
XLogP1.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
CID 87292695
cyclopentyl 2,2-dimethylpropane-1-sulfonate
CID 174663479
3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylic acid;2-methylpropane
CID 173127840
(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
CID 135304476
(1-prop-2-enoylpiperidin-3-yl) ethanesulfonate
CID 175033665
3-[5-[(2-methylpropan-2-yl)oxy]-3,5-dioxopentan-2-yl]oxypyrrolidine-1-carboxylic acid
CID 175139351
(3S)-3-[4-(trifluoromethyl)phenyl]sulfonyloxypyrrolidine-1-carboxylic acid
CID 87429333
(1-propanoylpyrrolidin-3-yl) methanesulfonate
CID 123443494
3-[(2R)-1-amino-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylic acid
CID 141278051
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
CID 87851758
(1-ethanethioylpiperidin-4-yl) ethanesulfonate
CID 174593388
4-(3-methylsulfonyloxyazetidin-1-yl)piperidine-1-carboxylic acid
CID 141313976

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid (CID 87292136) is (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid is CC(C)(C)CS(=O)(=O)O[C@@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid?
The InChIKey is OQZBAEFHZJNVDQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,3)7-17(14,15)16-8-4-5-11(6-8)9(12)13/h8H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid?
(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87292136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).