ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate

C9H16N2O5S — CID 71785462

IUPACethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H16N2O5S/c1-3-16-8(12)4-10-9(13)7-5-11(6-7)17(2,14)15/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyFKOCXTISEKLHLS-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.44
Rot. Bonds5

About ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate

ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate (PubChem CID 71785462) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate
PubChem CID71785462
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Nameethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H16N2O5S/c1-3-16-8(12)4-10-9(13)7-5-11(6-7)17(2,14)15/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyFKOCXTISEKLHLS-UHFFFAOYSA-N
XLogP-1.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(1-acetylazetidine-3-carboxamido)acetate
CID 71785161
Ethyl 2-(1-(cyclopropylsulfonyl)azetidine-3-carboxamido)acetate
CID 71785562
N-[(S)-2-methoxy-1-methylethyl]-1-mesyl-3-azetidinecarboxamide
CID 95377113
N-{2-[(rs)-2-(t-butoxycarbonylmethyl)-1,1-dioxo-1,2-thiazetidine-3-yl]acetyl}-glycine methyl ester
CID 23248734
N-[(rs)-(1,1-dioxo-1,2-thiazetidine-3-yl)acetyl]-l-cysteine ethyl ester
CID 129705967
Ethyl 2-[cyclopropylmethyl-[3-(methanesulfonamido)propanoyl]amino]acetate
CID 53562064
Ethyl 2-[azetidine-3-carbonyl(2-methoxyethyl)amino]acetate
CID 65967089
N-(1-methoxypropan-2-yl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785461
N-(2,2-diethoxyethyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785463
Ethyl 2-[(2-methyl-2-sulfamoylpropanoyl)amino]acetate
CID 85735472
N-(2-methoxyethyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513054
N-(3-ethoxypropyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate (CID 71785462) is ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate?
The InChIKey is FKOCXTISEKLHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-3-16-8(12)4-10-9(13)7-5-11(6-7)17(2,14)15/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate?
ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate has a molecular weight of 264.30 g/mol, XLogP of -1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylsulfonylazetidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 71785462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).