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

C14H19N3O7S — CID 11014189

IUPAC2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C14H19N3O7S/c15-25(23,24)11-3-1-10(2-4-11)5-6-16-12(18)7-17(8-13(19)20)9-14(21)22/h1-4H,5-9H2,(H,16,18)(H,19,20)(H,21,22)(H2,15,23,24)
InChIKeyFBSCTGVRNLUBHI-UHFFFAOYSA-N
MW373.39 g/mol
LogP-1.54
Rot. Bonds10

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

2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid (PubChem CID 11014189) has the molecular formula C14H19N3O7S and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid
PubChem CID11014189
Molecular FormulaC14H19N3O7S
Molecular Weight373.39 g/mol
Exact Mass373.09
IUPAC Name2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C14H19N3O7S/c15-25(23,24)11-3-1-10(2-4-11)5-6-16-12(18)7-17(8-13(19)20)9-14(21)22/h1-4H,5-9H2,(H,16,18)(H,19,20)(H,21,22)(H2,15,23,24)
InChIKeyFBSCTGVRNLUBHI-UHFFFAOYSA-N
XLogP-1.54
TPSA167.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
(2S)-6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
CID 508601
(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]hexanoic acid
CID 508609
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
([2-(Carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid
CID 4121769
{(2-{Carboxymethyl-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-acetic acid
CID 11061197
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]carbamate
CID 168274001
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-azepan-1-ylacetamide
CID 2500491
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-phenylacetamide
CID 2569005
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid (CID 11014189) is 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid is NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
The InChIKey is FBSCTGVRNLUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O7S/c15-25(23,24)11-3-1-10(2-4-11)5-6-16-12(18)7-17(8-13(19)20)9-14(21)22/h1-4H,5-9H2,(H,16,18)(H,19,20)(H,21,22)(H2,15,23,24).
What are the key properties of 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid has a molecular weight of 373.39 g/mol, XLogP of -1.54, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 11014189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).