2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid

C14H18BrNO4 — CID 119348164

IUPAC2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO4/c1-20-9-8-16(10-14(18)19)13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)
InChIKeyHENWOFQAHGQISC-UHFFFAOYSA-N
MW344.20 g/mol
LogP1.94
Rot. Bonds8

About 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid

2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 119348164) has the molecular formula C14H18BrNO4 and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID119348164
Molecular FormulaC14H18BrNO4
Molecular Weight344.20 g/mol
Exact Mass343.04
IUPAC Name2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO4/c1-20-9-8-16(10-14(18)19)13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,18,19)
InChIKeyHENWOFQAHGQISC-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119189335
2-[3-(4-bromothiophen-2-yl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119188912
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212
2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189031
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid (CID 119348164) is 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CCc1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is HENWOFQAHGQISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-20-9-8-16(10-14(18)19)13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 344.20 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119348164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).