2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid

C10H21NO5S — CID 79268992

IUPAC2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid
SMILESCCOCCS(=O)(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO5S/c1-5-16-6-7-17(14,15)11(8-9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyTYCDNSNGKISKHH-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.54
Rot. Bonds7

About 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid

2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid (PubChem CID 79268992) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid
PubChem CID79268992
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid
SMILESCCOCCS(=O)(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO5S/c1-5-16-6-7-17(14,15)11(8-9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyTYCDNSNGKISKHH-UHFFFAOYSA-N
XLogP0.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid
CID 79269437
2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 63246102
N-(1-amino-2-methylpropan-2-yl)-2-ethoxy-N-propylethanesulfonamide
CID 55175655
2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 63245775
2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid
CID 79265770
2-[3-chloro-N-(2-ethoxyethylsulfonyl)anilino]acetic acid
CID 63246191
2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
CID 79268548
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
3-[2-(2,5-dioxopyrrol-1-yl)ethyl-(2-ethoxyethylsulfonyl)amino]propanoic acid
CID 170071988
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid (CID 79268992) is 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid is CCOCCS(=O)(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid?
The InChIKey is TYCDNSNGKISKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-5-16-6-7-17(14,15)11(8-9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid?
2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 79268992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).