2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid

C11H12N2O6 — CID 142678753

IUPAC2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid
SMILESNCC(=O)NC(O)C(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O6/c12-5-8(14)13-9(15)11(18)19-7-4-2-1-3-6(7)10(16)17/h1-4,9,15H,5,12H2,(H,13,14)(H,16,17)
InChIKeyQWHSOVNUUWDSAK-UHFFFAOYSA-N
MW268.23 g/mol
LogP-1.32
Rot. Bonds5

About 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid

2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid (PubChem CID 142678753) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid.

Molecular Properties

Compound Name2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid
PubChem CID142678753
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid
SMILESNCC(=O)NC(O)C(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C11H12N2O6/c12-5-8(14)13-9(15)11(18)19-7-4-2-1-3-6(7)10(16)17/h1-4,9,15H,5,12H2,(H,13,14)(H,16,17)
InChIKeyQWHSOVNUUWDSAK-UHFFFAOYSA-N
XLogP-1.32
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid?
The IUPAC name of 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid (CID 142678753) is 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid.
What is the SMILES notation for 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid?
The canonical SMILES for 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid is NCC(=O)NC(O)C(=O)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid?
The InChIKey is QWHSOVNUUWDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c12-5-8(14)13-9(15)11(18)19-7-4-2-1-3-6(7)10(16)17/h1-4,9,15H,5,12H2,(H,13,14)(H,16,17).
What are the key properties of 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid?
2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid has a molecular weight of 268.23 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminoacetyl)amino]-2-hydroxyacetyl]oxybenzoic acid is sourced from PubChem (CID 142678753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).