2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid

C12H15N3O7S — CID 10970019

IUPAC2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H15N3O7S/c13-23(21,22)9-4-2-1-3-8(9)14-10(16)5-15(6-11(17)18)7-12(19)20/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)(H2,13,21,22)
InChIKeyVWRWLWPMIWCJFQ-UHFFFAOYSA-N
MW345.33 g/mol
LogP-1.26
Rot. Bonds8

About 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid

2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid (PubChem CID 10970019) has the molecular formula C12H15N3O7S and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid
PubChem CID10970019
Molecular FormulaC12H15N3O7S
Molecular Weight345.33 g/mol
Exact Mass345.06
IUPAC Name2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H15N3O7S/c13-23(21,22)9-4-2-1-3-8(9)14-10(16)5-15(6-11(17)18)7-12(19)20/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)(H2,13,21,22)
InChIKeyVWRWLWPMIWCJFQ-UHFFFAOYSA-N
XLogP-1.26
TPSA167.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid (CID 10970019) is 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid is NS(=O)(=O)c1ccccc1NC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid?
The InChIKey is VWRWLWPMIWCJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O7S/c13-23(21,22)9-4-2-1-3-8(9)14-10(16)5-15(6-11(17)18)7-12(19)20/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)(H2,13,21,22).
What are the key properties of 2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid?
2-[carboxymethyl-[2-oxo-2-(2-sulfamoylanilino)ethyl]amino]acetic acid has a molecular weight of 345.33 g/mol, XLogP of -1.26, 8 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-sulfamoylanilino)ethyl]amino]acetic acid is sourced from PubChem (CID 10970019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).