2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid

C11H12N2O6 — CID 107434887

IUPAC2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H12N2O6/c12-9(16)4-13(5-10(17)18)11(19)7-2-1-6(14)3-8(7)15/h1-3,14-15H,4-5H2,(H2,12,16)(H,17,18)
InChIKeyVZFYERSYYXTUQY-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.89
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid (PubChem CID 107434887) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid
PubChem CID107434887
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H12N2O6/c12-9(16)4-13(5-10(17)18)11(19)7-2-1-6(14)3-8(7)15/h1-3,14-15H,4-5H2,(H2,12,16)(H,17,18)
InChIKeyVZFYERSYYXTUQY-UHFFFAOYSA-N
XLogP-0.89
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-(3,4-dihydroxybenzoyl)amino]acetic acid
CID 107728235
2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
CID 107433914
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
2-[(2-amino-2-oxoethyl)-(5-bromo-2-iodobenzoyl)amino]acetic acid
CID 107433911
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
2-[(2-amino-2-oxoethyl)-(2,3,5-triiodobenzoyl)amino]acetic acid
CID 107434496
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
2,4-dihydroxybenzoic acid
CID 1491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid (CID 107434887) is 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1ccc(O)cc1O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid?
The InChIKey is VZFYERSYYXTUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c12-9(16)4-13(5-10(17)18)11(19)7-2-1-6(14)3-8(7)15/h1-3,14-15H,4-5H2,(H2,12,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of -0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,4-dihydroxybenzoyl)amino]acetic acid is sourced from PubChem (CID 107434887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).