2-amino-2-(2-bromophenyl)acetic acid

C8H8BrNO2 — CID 4561836

IUPAC2-amino-2-(2-bromophenyl)acetic acid
SMILESNC(C(=O)O)c1ccccc1Br
InChIInChI=1S/C8H8BrNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKeyPTWAPNNQAOAJDI-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-2-(2-bromophenyl)acetic acid

2-amino-2-(2-bromophenyl)acetic acid (PubChem CID 4561836) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-amino-2-(2-bromophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-bromophenyl)acetic acid
PubChem CID4561836
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-amino-2-(2-bromophenyl)acetic acid
SMILESNC(C(=O)O)c1ccccc1Br
InChIInChI=1S/C8H8BrNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKeyPTWAPNNQAOAJDI-UHFFFAOYSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-bromophenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-bromophenyl)acetic acid (CID 4561836) is 2-amino-2-(2-bromophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-bromophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-bromophenyl)acetic acid is NC(C(=O)O)c1ccccc1Br.
What is the InChIKey of 2-amino-2-(2-bromophenyl)acetic acid?
The InChIKey is PTWAPNNQAOAJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12).
What are the key properties of 2-amino-2-(2-bromophenyl)acetic acid?
2-amino-2-(2-bromophenyl)acetic acid has a molecular weight of 230.06 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-bromophenyl)acetic acid is sourced from PubChem (CID 4561836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).