(2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid

C6H11FN2O4S — CID 170189613

IUPAC(2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid
SMILESCS(=O)(=O)NC[C@@H]1[C@H](F)CN1C(=O)O
InChIInChI=1S/C6H11FN2O4S/c1-14(12,13)8-2-5-4(7)3-9(5)6(10)11/h4-5,8H,2-3H2,1H3,(H,10,11)/t4-,5-/m1/s1
InChIKeyUEHGRBGKRUHOFL-RFZPGFLSSA-N
MW226.23 g/mol
LogP-0.76
Rot. Bonds3

About (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid

(2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid (PubChem CID 170189613) has the molecular formula C6H11FN2O4S and a molecular weight of 226.23 g/mol. Its IUPAC name is (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid
PubChem CID170189613
Molecular FormulaC6H11FN2O4S
Molecular Weight226.23 g/mol
Exact Mass226.04
IUPAC Name(2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid
SMILESCS(=O)(=O)NC[C@@H]1[C@H](F)CN1C(=O)O
InChIInChI=1S/C6H11FN2O4S/c1-14(12,13)8-2-5-4(7)3-9(5)6(10)11/h4-5,8H,2-3H2,1H3,(H,10,11)/t4-,5-/m1/s1
InChIKeyUEHGRBGKRUHOFL-RFZPGFLSSA-N
XLogP-0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid?
The IUPAC name of (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid (CID 170189613) is (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid?
The canonical SMILES for (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid is CS(=O)(=O)NC[C@@H]1[C@H](F)CN1C(=O)O.
What is the InChIKey of (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid?
The InChIKey is UEHGRBGKRUHOFL-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11FN2O4S/c1-14(12,13)8-2-5-4(7)3-9(5)6(10)11/h4-5,8H,2-3H2,1H3,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid?
(2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 170189613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).