(2R)-2-amino-2-quinolin-2-ylpropanoic acid

C12H12N2O2 — CID 91535369

IUPAC(2R)-2-amino-2-quinolin-2-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-12(13,11(15)16)10-7-6-8-4-2-3-5-9(8)14-10/h2-7H,13H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyJQDCWMWADMZBMZ-GFCCVEGCSA-N
MW216.24 g/mol
LogP1.49
Rot. Bonds2

About (2R)-2-amino-2-quinolin-2-ylpropanoic acid

(2R)-2-amino-2-quinolin-2-ylpropanoic acid (PubChem CID 91535369) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-amino-2-quinolin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-quinolin-2-ylpropanoic acid
PubChem CID91535369
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(2R)-2-amino-2-quinolin-2-ylpropanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-12(13,11(15)16)10-7-6-8-4-2-3-5-9(8)14-10/h2-7H,13H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyJQDCWMWADMZBMZ-GFCCVEGCSA-N
XLogP1.49
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.49
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-quinolin-2-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-quinolin-2-ylpropanoic acid (CID 91535369) is (2R)-2-amino-2-quinolin-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-quinolin-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-quinolin-2-ylpropanoic acid is C[C@](N)(C(=O)O)c1ccc2ccccc2n1.
What is the InChIKey of (2R)-2-amino-2-quinolin-2-ylpropanoic acid?
The InChIKey is JQDCWMWADMZBMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-12(13,11(15)16)10-7-6-8-4-2-3-5-9(8)14-10/h2-7H,13H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-2-quinolin-2-ylpropanoic acid?
(2R)-2-amino-2-quinolin-2-ylpropanoic acid has a molecular weight of 216.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-quinolin-2-ylpropanoic acid is sourced from PubChem (CID 91535369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).