2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid

C11H13BrN2O3 — CID 43442287

IUPAC2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-14(7-11(16)17)6-10(15)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyFNWPRUPMRSTZMG-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.40
Rot. Bonds5

About 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid

2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442287) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442287
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O3/c1-14(7-11(16)17)6-10(15)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyFNWPRUPMRSTZMG-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
3-[[2-(4-bromoanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838316
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid (CID 43442287) is 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is FNWPRUPMRSTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-14(7-11(16)17)6-10(15)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid?
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 301.14 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).