(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid

C13H15FN2O6S — CID 174219414

IUPAC(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCN(C(=O)O)C1)c1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C13H15FN2O6S/c14-23(20,21)22-11-5-1-3-9(7-11)12(17)15-10-4-2-6-16(8-10)13(18)19/h1,3,5,7,10H,2,4,6,8H2,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyKAJJVQBSXHJREA-SNVBAGLBSA-N
MW346.34 g/mol
LogP1.15
Rot. Bonds4

About (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid

(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid (PubChem CID 174219414) has the molecular formula C13H15FN2O6S and a molecular weight of 346.34 g/mol. Its IUPAC name is (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid
PubChem CID174219414
Molecular FormulaC13H15FN2O6S
Molecular Weight346.34 g/mol
Exact Mass346.06
IUPAC Name(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCN(C(=O)O)C1)c1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C13H15FN2O6S/c14-23(20,21)22-11-5-1-3-9(7-11)12(17)15-10-4-2-6-16(8-10)13(18)19/h1,3,5,7,10H,2,4,6,8H2,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyKAJJVQBSXHJREA-SNVBAGLBSA-N
XLogP1.15
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
CID 69078497
tert-butyl (3R)-3-(3-fluorosulfonyloxyanilino)piperidine-1-carboxylate
CID 166132844
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
3-[[(3S)-1-ethylpiperidin-3-yl]carbamoyl]-5-fluorosulfonyloxypyridine
CID 167892659
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844
3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide
CID 166319640
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 50846681

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid (CID 174219414) is (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid is O=C(N[C@@H]1CCCN(C(=O)O)C1)c1cccc(OS(=O)(=O)F)c1.
What is the InChIKey of (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid?
The InChIKey is KAJJVQBSXHJREA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2O6S/c14-23(20,21)22-11-5-1-3-9(7-11)12(17)15-10-4-2-6-16(8-10)13(18)19/h1,3,5,7,10H,2,4,6,8H2,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid?
(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 174219414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).