2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid

C11H10BrNO5 — CID 63649912

IUPAC2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccccc1Br
InChIInChI=1S/C11H10BrNO5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)
InChIKeyHNMSVEHQBGRHQR-UHFFFAOYSA-N
MW316.11 g/mol
LogP1.06
Rot. Bonds5

About 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid

2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid (PubChem CID 63649912) has the molecular formula C11H10BrNO5 and a molecular weight of 316.11 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
PubChem CID63649912
Molecular FormulaC11H10BrNO5
Molecular Weight316.11 g/mol
Exact Mass314.97
IUPAC Name2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccccc1Br
InChIInChI=1S/C11H10BrNO5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)
InChIKeyHNMSVEHQBGRHQR-UHFFFAOYSA-N
XLogP1.06
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599
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CID 103102660
2-bromo-N,N-dibutylbenzamide
CID 2843235
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
2-[[2-[(2-bromobenzoyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79271583
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423704
2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
2-[(2-bromophenyl)methylcarbamoyl-(carboxymethyl)amino]acetic acid
CID 63644952
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid (CID 63649912) is 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is HNMSVEHQBGRHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid?
2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 316.11 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63649912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).