2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid

C11H14N2O6S — CID 43715705

IUPAC2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
SMILESNC(=O)CCOc1ccccc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H14N2O6S/c12-10(14)5-6-19-9-4-2-1-3-8(9)13-20(17,18)7-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyJHPHIOCLQCHELQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.23
Rot. Bonds8

About 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid

2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid (PubChem CID 43715705) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
PubChem CID43715705
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
SMILESNC(=O)CCOc1ccccc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H14N2O6S/c12-10(14)5-6-19-9-4-2-1-3-8(9)13-20(17,18)7-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16)
InChIKeyJHPHIOCLQCHELQ-UHFFFAOYSA-N
XLogP-0.23
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
CID 83084188
3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
CID 60534328
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
CID 55768562
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-(2-aminophenoxy)propanamide
CID 39869131
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
2-(naphthalen-1-ylsulfamoyl)acetic acid
CID 28773986
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
3-[2-(heptan-4-ylamino)phenoxy]propanamide
CID 43729781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid (CID 43715705) is 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid is NC(=O)CCOc1ccccc1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid?
The InChIKey is JHPHIOCLQCHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c12-10(14)5-6-19-9-4-2-1-3-8(9)13-20(17,18)7-11(15)16/h1-4,13H,5-7H2,(H2,12,14)(H,15,16).
What are the key properties of 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid?
2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid has a molecular weight of 302.31 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43715705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).