2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid

C9H18N2O5S — CID 54969399

IUPAC2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O5S/c1-16-7-6-11(8-9(12)13)17(14,15)10-4-2-3-5-10/h2-8H2,1H3,(H,12,13)
InChIKeyCLKQANCJWWOYIA-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.64
Rot. Bonds7

About 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid

2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid (PubChem CID 54969399) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
PubChem CID54969399
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O5S/c1-16-7-6-11(8-9(12)13)17(14,15)10-4-2-3-5-10/h2-8H2,1H3,(H,12,13)
InChIKeyCLKQANCJWWOYIA-UHFFFAOYSA-N
XLogP-0.64
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
CID 122071260
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide
CID 47090039
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide
CID 54986701
4-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]benzoic acid
CID 154800853
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443
3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
CID 63285308
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 76993942

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid (CID 54969399) is 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid is COCCN(CC(=O)O)S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid?
The InChIKey is CLKQANCJWWOYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-16-7-6-11(8-9(12)13)17(14,15)10-4-2-3-5-10/h2-8H2,1H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid?
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid has a molecular weight of 266.32 g/mol, XLogP of -0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 54969399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).