(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid

C11H11Br2NO4 — CID 54991092

IUPAC(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)COc1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C11H11Br2NO4/c1-6(11(16)17)14-10(15)5-18-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyICSIRFVIBDTABI-ZCFIWIBFSA-N
MW381.02 g/mol
LogP2.18
Rot. Bonds5

About (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid

(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid (PubChem CID 54991092) has the molecular formula C11H11Br2NO4 and a molecular weight of 381.02 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
PubChem CID54991092
Molecular FormulaC11H11Br2NO4
Molecular Weight381.02 g/mol
Exact Mass378.91
IUPAC Name(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)COc1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C11H11Br2NO4/c1-6(11(16)17)14-10(15)5-18-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyICSIRFVIBDTABI-ZCFIWIBFSA-N
XLogP2.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.02
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]butanedioic acid
CID 112732923
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906411
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
(2R)-2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119244111
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
(2S,3R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964738
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862131

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid (CID 54991092) is (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid is C[C@@H](NC(=O)COc1ccc(Br)cc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid?
The InChIKey is ICSIRFVIBDTABI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11Br2NO4/c1-6(11(16)17)14-10(15)5-18-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid?
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid has a molecular weight of 381.02 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 54991092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).