2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid

C9H16N2O7S — CID 114462839

IUPAC2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O7S/c1-2-17-9(14)10-19(15,16)11-3-4-18-7(6-11)5-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyBBANMGIVWFDCCH-UHFFFAOYSA-N
MW296.30 g/mol
LogP-0.85
Rot. Bonds5

About 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid

2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid (PubChem CID 114462839) has the molecular formula C9H16N2O7S and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
PubChem CID114462839
Molecular FormulaC9H16N2O7S
Molecular Weight296.30 g/mol
Exact Mass296.07
IUPAC Name2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O7S/c1-2-17-9(14)10-19(15,16)11-3-4-18-7(6-11)5-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyBBANMGIVWFDCCH-UHFFFAOYSA-N
XLogP-0.85
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-(methylaminomethyl)morpholin-4-yl]sulfonylcarbamate
CID 114465185
2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid
CID 66435370
methyl 2-[4-(ethylsulfamoyl)morpholin-2-yl]acetate
CID 115678021
ethyl N-[(1,3-dioxo-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridin-5-yl)sulfonyl]carbamate
CID 114463033
2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
CID 66433232
methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate
CID 79765314
3-[1-(ethoxycarbonylsulfamoyl)piperidin-4-yl]oxypropanoic acid
CID 114462701
[7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
CID 170435077
[(7S)-7-(methoxymethyl)-1,4-oxazepan-4-yl]sulfonylcarbamic acid
CID 170435075
2-[4-(5-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433224
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
ethyl N-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]carbamate
CID 114465316

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid (CID 114462839) is 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid is CCOC(=O)NS(=O)(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid?
The InChIKey is BBANMGIVWFDCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O7S/c1-2-17-9(14)10-19(15,16)11-3-4-18-7(6-11)5-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid?
2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 114462839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).