(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid

C11H14BrNO3 — CID 94479863

IUPAC(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCN[C@@H](C(=O)O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c1-16-7-6-13-10(11(14)15)8-4-2-3-5-9(8)12/h2-5,10,13H,6-7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyVVPZASJPEXKFIH-SNVBAGLBSA-N
MW288.14 g/mol
LogP1.81
Rot. Bonds6

About (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid

(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid (PubChem CID 94479863) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
PubChem CID94479863
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCN[C@@H](C(=O)O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c1-16-7-6-13-10(11(14)15)8-4-2-3-5-9(8)12/h2-5,10,13H,6-7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyVVPZASJPEXKFIH-SNVBAGLBSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-2-(butylamino)acetic acid
CID 84747018
2-(2-methoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84745991
2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892942
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
2-(2-hydroxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 116684995
2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid
CID 102841052
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 104565058
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid
CID 62539805
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid?
The IUPAC name of (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid (CID 94479863) is (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid is COCCN[C@@H](C(=O)O)c1ccccc1Br.
What is the InChIKey of (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid?
The InChIKey is VVPZASJPEXKFIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-16-7-6-13-10(11(14)15)8-4-2-3-5-9(8)12/h2-5,10,13H,6-7H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid?
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid has a molecular weight of 288.14 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid is sourced from PubChem (CID 94479863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).