2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid

C9H19NO6S — CID 63246102

IUPAC2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
SMILESCCOCCS(=O)(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C9H19NO6S/c1-3-16-6-7-17(13,14)10(4-5-15-2)8-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyPMOIEMSFHOPOFG-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.61
Rot. Bonds10

About 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid

2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid (PubChem CID 63246102) has the molecular formula C9H19NO6S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
PubChem CID63246102
Molecular FormulaC9H19NO6S
Molecular Weight269.32 g/mol
Exact Mass269.09
IUPAC Name2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
SMILESCCOCCS(=O)(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C9H19NO6S/c1-3-16-6-7-17(13,14)10(4-5-15-2)8-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyPMOIEMSFHOPOFG-UHFFFAOYSA-N
XLogP-0.61
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 63245775
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
2-[2-(dimethylamino)ethyl-(3-methoxypropylsulfonyl)amino]acetic acid
CID 103862479
2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 79268992
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187
2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76988819
2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 116815328
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399
N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
2-amino-N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952398

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid (CID 63246102) is 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid is CCOCCS(=O)(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is PMOIEMSFHOPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO6S/c1-3-16-6-7-17(13,14)10(4-5-15-2)8-9(11)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid?
2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 269.32 g/mol, XLogP of -0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 63246102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).