methyl (2R)-2-amino-2-quinolin-2-ylacetate

C12H12N2O2 — CID 131435940

IUPACmethyl (2R)-2-amino-2-quinolin-2-ylacetate
SMILESCOC(=O)[C@H](N)c1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)11(13)10-7-6-8-4-2-3-5-9(8)14-10/h2-7,11H,13H2,1H3/t11-/m1/s1
InChIKeyWSJMNKHKLDOYJN-LLVKDONJSA-N
MW216.24 g/mol
LogP1.41
Rot. Bonds2

About methyl (2R)-2-amino-2-quinolin-2-ylacetate

methyl (2R)-2-amino-2-quinolin-2-ylacetate (PubChem CID 131435940) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-quinolin-2-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-quinolin-2-ylacetate
PubChem CID131435940
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl (2R)-2-amino-2-quinolin-2-ylacetate
SMILESCOC(=O)[C@H](N)c1ccc2ccccc2n1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)11(13)10-7-6-8-4-2-3-5-9(8)14-10/h2-7,11H,13H2,1H3/t11-/m1/s1
InChIKeyWSJMNKHKLDOYJN-LLVKDONJSA-N
XLogP1.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465
methyl 2-quinolin-2-ylhexanoate
CID 116645151
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
amino(quinolin-2-yl)methanol
CID 154237779
methyl 2-amino-2-(6-chloro-2-pyridinyl)acetate
CID 130119542
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
tert-butyl 2-quinolin-2-ylpropanoate
CID 116645148
amino(quinolin-2-yl)methanesulfinic acid
CID 66872593
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-quinolin-2-ylacetate?
The IUPAC name of methyl (2R)-2-amino-2-quinolin-2-ylacetate (CID 131435940) is methyl (2R)-2-amino-2-quinolin-2-ylacetate.
What is the SMILES notation for methyl (2R)-2-amino-2-quinolin-2-ylacetate?
The canonical SMILES for methyl (2R)-2-amino-2-quinolin-2-ylacetate is COC(=O)[C@H](N)c1ccc2ccccc2n1.
What is the InChIKey of methyl (2R)-2-amino-2-quinolin-2-ylacetate?
The InChIKey is WSJMNKHKLDOYJN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12(15)11(13)10-7-6-8-4-2-3-5-9(8)14-10/h2-7,11H,13H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-quinolin-2-ylacetate?
methyl (2R)-2-amino-2-quinolin-2-ylacetate has a molecular weight of 216.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-quinolin-2-ylacetate is sourced from PubChem (CID 131435940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).