(2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid

C7H14N2O4S — CID 170189665

IUPAC(2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid
SMILESCC(NS(C)(=O)=O)[C@@H]1CCN1C(=O)O
InChIInChI=1S/C7H14N2O4S/c1-5(8-14(2,12)13)6-3-4-9(6)7(10)11/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyNMCSECGRXSHFJJ-GDVGLLTNSA-N
MW222.27 g/mol
LogP-0.32
Rot. Bonds3

About (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid

(2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid (PubChem CID 170189665) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid
PubChem CID170189665
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid
SMILESCC(NS(C)(=O)=O)[C@@H]1CCN1C(=O)O
InChIInChI=1S/C7H14N2O4S/c1-5(8-14(2,12)13)6-3-4-9(6)7(10)11/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyNMCSECGRXSHFJJ-GDVGLLTNSA-N
XLogP-0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid (CID 170189665) is (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid is CC(NS(C)(=O)=O)[C@@H]1CCN1C(=O)O.
What is the InChIKey of (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid?
The InChIKey is NMCSECGRXSHFJJ-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-5(8-14(2,12)13)6-3-4-9(6)7(10)11/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid?
(2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(methanesulfonamido)ethyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 170189665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).