(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid

C13H11BrN2O2 — CID 165346016

IUPAC(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
SMILESN[C@@H](C(=O)O)c1cnccc1-c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O2/c14-9-3-1-2-8(6-9)10-4-5-16-7-11(10)12(15)13(17)18/h1-7,12H,15H2,(H,17,18)/t12-/m1/s1
InChIKeyXGOPIYBFWPLAFB-GFCCVEGCSA-N
MW307.15 g/mol
LogP2.60
Rot. Bonds3

About (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid

(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid (PubChem CID 165346016) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
PubChem CID165346016
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
SMILESN[C@@H](C(=O)O)c1cnccc1-c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O2/c14-9-3-1-2-8(6-9)10-4-5-16-7-11(10)12(15)13(17)18/h1-7,12H,15H2,(H,17,18)/t12-/m1/s1
InChIKeyXGOPIYBFWPLAFB-GFCCVEGCSA-N
XLogP2.60
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid?
The IUPAC name of (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid (CID 165346016) is (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid is N[C@@H](C(=O)O)c1cnccc1-c1cccc(Br)c1.
What is the InChIKey of (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid?
The InChIKey is XGOPIYBFWPLAFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-9-3-1-2-8(6-9)10-4-5-16-7-11(10)12(15)13(17)18/h1-7,12H,15H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid?
(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid has a molecular weight of 307.15 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 165346016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).