2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid

C11H11BrN2O4 — CID 137090711

IUPAC2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H11BrN2O4/c12-8-1-2-9(15)7(3-8)4-13-5-10(16)14-6-11(17)18/h1-4,15H,5-6H2,(H,14,16)(H,17,18)/b13-4+
InChIKeyVVVLSWYZCFVRNX-YIXHJXPBSA-N
MW315.12 g/mol
LogP0.77
Rot. Bonds5

About 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid

2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid (PubChem CID 137090711) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid
PubChem CID137090711
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H11BrN2O4/c12-8-1-2-9(15)7(3-8)4-13-5-10(16)14-6-11(17)18/h1-4,15H,5-6H2,(H,14,16)(H,17,18)/b13-4+
InChIKeyVVVLSWYZCFVRNX-YIXHJXPBSA-N
XLogP0.77
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[2-(carboxymethylamino)-2-oxoethyl]iminomethyl]-4-hydroxyphenyl]methyl-trimethylazanium
CID 136851258
2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid
CID 5247870
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
dibenzyl-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]azanium
CID 3680754
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 136688596
N-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 5178952

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid (CID 137090711) is 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)C/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid?
The InChIKey is VVVLSWYZCFVRNX-YIXHJXPBSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c12-8-1-2-9(15)7(3-8)4-13-5-10(16)14-6-11(17)18/h1-4,15H,5-6H2,(H,14,16)(H,17,18)/b13-4+.
What are the key properties of 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid?
2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid has a molecular weight of 315.12 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]acetyl]amino]acetic acid is sourced from PubChem (CID 137090711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).