(2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid

C7H13FN2O4S — CID 170189624

IUPAC(2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid
SMILESCCS(=O)(=O)NC[C@@H]1[C@H](F)CN1C(=O)O
InChIInChI=1S/C7H13FN2O4S/c1-2-15(13,14)9-3-6-5(8)4-10(6)7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)/t5-,6-/m1/s1
InChIKeyUCSSDXYEBJGFHO-PHDIDXHHSA-N
MW240.26 g/mol
LogP-0.37
Rot. Bonds4

About (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid

(2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid (PubChem CID 170189624) has the molecular formula C7H13FN2O4S and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid
PubChem CID170189624
Molecular FormulaC7H13FN2O4S
Molecular Weight240.26 g/mol
Exact Mass240.06
IUPAC Name(2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid
SMILESCCS(=O)(=O)NC[C@@H]1[C@H](F)CN1C(=O)O
InChIInChI=1S/C7H13FN2O4S/c1-2-15(13,14)9-3-6-5(8)4-10(6)7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)/t5-,6-/m1/s1
InChIKeyUCSSDXYEBJGFHO-PHDIDXHHSA-N
XLogP-0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid?
The IUPAC name of (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid (CID 170189624) is (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid?
The canonical SMILES for (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid is CCS(=O)(=O)NC[C@@H]1[C@H](F)CN1C(=O)O.
What is the InChIKey of (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid?
The InChIKey is UCSSDXYEBJGFHO-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13FN2O4S/c1-2-15(13,14)9-3-6-5(8)4-10(6)7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid?
(2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid is sourced from PubChem (CID 170189624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).