3-(2-ethoxyethylsulfonylamino)propanoic acid

C7H15NO5S — CID 63245952

IUPAC3-(2-ethoxyethylsulfonylamino)propanoic acid
SMILESCCOCCS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C7H15NO5S/c1-2-13-5-6-14(11,12)8-4-3-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyMKHIBBPSPQPLNV-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.58
Rot. Bonds8

About 3-(2-ethoxyethylsulfonylamino)propanoic acid

3-(2-ethoxyethylsulfonylamino)propanoic acid (PubChem CID 63245952) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(2-ethoxyethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-ethoxyethylsulfonylamino)propanoic acid
PubChem CID63245952
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name3-(2-ethoxyethylsulfonylamino)propanoic acid
SMILESCCOCCS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C7H15NO5S/c1-2-13-5-6-14(11,12)8-4-3-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyMKHIBBPSPQPLNV-UHFFFAOYSA-N
XLogP-0.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119349059
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
3-(chloromethylsulfonylamino)propanoic acid
CID 63664761
N-(3-azidopropyl)-2-ethoxyethanesulfonamide
CID 63246818
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylsulfonylamino)propanoic acid?
The IUPAC name of 3-(2-ethoxyethylsulfonylamino)propanoic acid (CID 63245952) is 3-(2-ethoxyethylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(2-ethoxyethylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(2-ethoxyethylsulfonylamino)propanoic acid is CCOCCS(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-ethoxyethylsulfonylamino)propanoic acid?
The InChIKey is MKHIBBPSPQPLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-2-13-5-6-14(11,12)8-4-3-7(9)10/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of 3-(2-ethoxyethylsulfonylamino)propanoic acid?
3-(2-ethoxyethylsulfonylamino)propanoic acid has a molecular weight of 225.27 g/mol, XLogP of -0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylsulfonylamino)propanoic acid is sourced from PubChem (CID 63245952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).