2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid

C14H18N2O8S — CID 10872446

IUPAC2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCOC(=O)CN(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C14H18N2O8S/c15-25(22,23)11-3-1-10(2-4-11)5-6-24-14(21)9-16(7-12(17)18)8-13(19)20/h1-4H,5-9H2,(H,17,18)(H,19,20)(H2,15,22,23)
InChIKeyNNIIWZOHYYFNCQ-UHFFFAOYSA-N
MW374.37 g/mol
LogP-1.11
Rot. Bonds10

About 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid

2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid (PubChem CID 10872446) has the molecular formula C14H18N2O8S and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
PubChem CID10872446
Molecular FormulaC14H18N2O8S
Molecular Weight374.37 g/mol
Exact Mass374.08
IUPAC Name2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCOC(=O)CN(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C14H18N2O8S/c15-25(22,23)11-3-1-10(2-4-11)5-6-24-14(21)9-16(7-12(17)18)8-13(19)20/h1-4H,5-9H2,(H,17,18)(H,19,20)(H2,15,22,23)
InChIKeyNNIIWZOHYYFNCQ-UHFFFAOYSA-N
XLogP-1.11
TPSA164.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]ethylamino]acetic acid
CID 11824513
2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-N-[2-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]anilino]ethyl]anilino]acetic acid
CID 10985509
2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
CID 101102313
2-[2-[2-[2-[carboxymethyl-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]acetic acid;zinc
CID 56669476
butyl 3-(4-sulfamoylphenyl)propanoate
CID 35588023
2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
CID 101102311
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate
CID 103714875
benzene-1,4-disulfonic acid;2-[bis(carboxymethyl)amino]acetic acid
CID 174826540
4-(2-phenylmethoxyethyl)benzenesulfonamide
CID 70517905
2-phenylethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55539189
4-(4-sulfamoylphenyl)butanamide
CID 145476026

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid (CID 10872446) is 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid is NS(=O)(=O)c1ccc(CCOC(=O)CN(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
The InChIKey is NNIIWZOHYYFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O8S/c15-25(22,23)11-3-1-10(2-4-11)5-6-24-14(21)9-16(7-12(17)18)8-13(19)20/h1-4H,5-9H2,(H,17,18)(H,19,20)(H2,15,22,23).
What are the key properties of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid has a molecular weight of 374.37 g/mol, XLogP of -1.11, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid is sourced from PubChem (CID 10872446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).