3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid

C6H13N3O4S — CID 143330375

IUPAC3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid
SMILESNCCS(=O)(=O)NC1CN(C(=O)O)C1
InChIInChI=1S/C6H13N3O4S/c7-1-2-14(12,13)8-5-3-9(4-5)6(10)11/h5,8H,1-4,7H2,(H,10,11)
InChIKeyRWYFEQZEXNYTSN-UHFFFAOYSA-N
MW223.25 g/mol
LogP-1.77
Rot. Bonds4

About 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid

3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid (PubChem CID 143330375) has the molecular formula C6H13N3O4S and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid
PubChem CID143330375
Molecular FormulaC6H13N3O4S
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid
SMILESNCCS(=O)(=O)NC1CN(C(=O)O)C1
InChIInChI=1S/C6H13N3O4S/c7-1-2-14(12,13)8-5-3-9(4-5)6(10)11/h5,8H,1-4,7H2,(H,10,11)
InChIKeyRWYFEQZEXNYTSN-UHFFFAOYSA-N
XLogP-1.77
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-fluoro-2-(methanesulfonamidomethyl)azetidine-1-carboxylic acid
CID 170189613
(2R,3R)-2-[(ethylsulfonylamino)methyl]-3-fluoroazetidine-1-carboxylic acid
CID 170189624
3-(Methanesulfonamido)azetidine-1-carboxylic acid
CID 118497389
3-Sulfamoylazetidine-1-carboxylic acid
CID 146193569
(1-Methylsulfonylazetidin-3-yl)carbamic acid
CID 146452711
3-[(Ethylsulfonylamino)methyl]azetidine-1-carboxylic acid
CID 156087026
(2S)-2-[(1S)-1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid
CID 170189662
(2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid
CID 170189665
2-(3-Aminoazetidin-1-yl)sulfonylacetic acid
CID 65244288

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid (CID 143330375) is 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid is NCCS(=O)(=O)NC1CN(C(=O)O)C1.
What is the InChIKey of 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid?
The InChIKey is RWYFEQZEXNYTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O4S/c7-1-2-14(12,13)8-5-3-9(4-5)6(10)11/h5,8H,1-4,7H2,(H,10,11).
What are the key properties of 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid?
3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfonylamino)azetidine-1-carboxylic acid is sourced from PubChem (CID 143330375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).