2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid

C14H18BrNO4 — CID 62819651

IUPAC2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)COc1ccc(Br)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H18BrNO4/c1-4-16(14(2,3)13(18)19)12(17)9-20-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyOIRPIGNIOMSZTI-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.54
Rot. Bonds6

About 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid

2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62819651) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62819651
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)COc1ccc(Br)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H18BrNO4/c1-4-16(14(2,3)13(18)19)12(17)9-20-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyOIRPIGNIOMSZTI-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62817330
2-[2-(4-bromophenoxy)ethyl-ethylamino]-2-methylpropanoic acid
CID 62821363
2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid
CID 62818599
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-[(2-amino-4-bromobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 79721598
2-[(4-bromo-2-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62817323
2-[tert-butyl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 79266539
N'-[2-(4-bromophenoxy)acetyl]-2-(diethylamino)acetohydrazide
CID 78807447

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid (CID 62819651) is 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid is CCN(C(=O)COc1ccc(Br)cc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is OIRPIGNIOMSZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-4-16(14(2,3)13(18)19)12(17)9-20-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 344.21 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62819651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).