5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid

C11H13BrN2O3 — CID 55031490

IUPAC5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid
SMILESCCNCC(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-2-13-6-10(15)14-9-4-3-7(12)5-8(9)11(16)17/h3-5,13H,2,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyJEVLUGIUQZBZJA-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.70
Rot. Bonds5

About 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid

5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid (PubChem CID 55031490) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid
PubChem CID55031490
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid
SMILESCCNCC(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-2-13-6-10(15)14-9-4-3-7(12)5-8(9)11(16)17/h3-5,13H,2,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyJEVLUGIUQZBZJA-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
CID 62074315
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
5-bromo-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 66126977
4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187790
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
2-[(2-amino-2-oxoethyl)carbamoylamino]-5-bromobenzoic acid
CID 62075045
5-bromo-2-[[ethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62072477
4-bromo-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79261272
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid?
The IUPAC name of 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid (CID 55031490) is 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid is CCNCC(=O)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid?
The InChIKey is JEVLUGIUQZBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-2-13-6-10(15)14-9-4-3-7(12)5-8(9)11(16)17/h3-5,13H,2,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid?
5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid has a molecular weight of 301.14 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid is sourced from PubChem (CID 55031490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).