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'}

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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).