2-amino-2-(4-chlorophenyl)acetic acid

C8H8ClNO2 — CID 587821

IUPAC2-amino-2-(4-chlorophenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKeyQGJGBYXRJVIYGA-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-2-(4-chlorophenyl)acetic acid

2-amino-2-(4-chlorophenyl)acetic acid (PubChem CID 587821) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)acetic acid
PubChem CID587821
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-amino-2-(4-chlorophenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKeyQGJGBYXRJVIYGA-UHFFFAOYSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-chlorophenyl)acetic acid (CID 587821) is 2-amino-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)acetic acid is NC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)acetic acid?
The InChIKey is QGJGBYXRJVIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12).
What are the key properties of 2-amino-2-(4-chlorophenyl)acetic acid?
2-amino-2-(4-chlorophenyl)acetic acid has a molecular weight of 185.61 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 587821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).