2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid

C11H12BrNO4 — CID 107729311

IUPAC2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H12BrNO4/c1-2-13(6-10(15)16)11(17)8-5-7(12)3-4-9(8)14/h3-5,14H,2,6H2,1H3,(H,15,16)
InChIKeyJTFCBBPKXXIYCQ-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.70
Rot. Bonds4

About 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid

2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid (PubChem CID 107729311) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
PubChem CID107729311
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H12BrNO4/c1-2-13(6-10(15)16)11(17)8-5-7(12)3-4-9(8)14/h3-5,14H,2,6H2,1H3,(H,15,16)
InChIKeyJTFCBBPKXXIYCQ-UHFFFAOYSA-N
XLogP1.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine
CID 157374545
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
2-[(5-bromo-2-hydroxybenzoyl)-prop-2-enylamino]acetic acid
CID 107729428
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
3-[(5-bromo-2-hydroxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107729348
3-[(4-bromo-2-methylbenzoyl)-ethylamino]propanoic acid
CID 54898490
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
2-[(2-amino-4-bromobenzoyl)-propylamino]acetic acid
CID 79721744

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid (CID 107729311) is 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid?
The InChIKey is JTFCBBPKXXIYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4/c1-2-13(6-10(15)16)11(17)8-5-7(12)3-4-9(8)14/h3-5,14H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid?
2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid has a molecular weight of 302.12 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid is sourced from PubChem (CID 107729311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).