2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid

C11H20N2O7S — CID 79469301

IUPAC2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O7S/c14-10(12-2-5-20-9-11(15)16)1-8-21(17,18)13-3-6-19-7-4-13/h1-9H2,(H,12,14)(H,15,16)
InChIKeyPWRGAEKQHLNYFL-UHFFFAOYSA-N
MW324.36 g/mol
LogP-1.74
Rot. Bonds9

About 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid

2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid (PubChem CID 79469301) has the molecular formula C11H20N2O7S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid
PubChem CID79469301
Molecular FormulaC11H20N2O7S
Molecular Weight324.36 g/mol
Exact Mass324.10
IUPAC Name2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O7S/c14-10(12-2-5-20-9-11(15)16)1-8-21(17,18)13-3-6-19-7-4-13/h1-9H2,(H,12,14)(H,15,16)
InChIKeyPWRGAEKQHLNYFL-UHFFFAOYSA-N
XLogP-1.74
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110618498
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 115455306
2-[2-(2-morpholin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79463716
N-(2,3-dihydroxy-2-methylpropyl)-3-morpholin-4-ylsulfonylpropanamide
CID 66169421
3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305020
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154
2-cyclopropyl-2-(3-morpholin-4-ylsulfonylpropanoylamino)acetic acid
CID 62697248
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982188
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid (CID 79469301) is 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid?
The InChIKey is PWRGAEKQHLNYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O7S/c14-10(12-2-5-20-9-11(15)16)1-8-21(17,18)13-3-6-19-7-4-13/h1-9H2,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid?
2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid has a molecular weight of 324.36 g/mol, XLogP of -1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79469301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).