2-amino-2-(2-chloroquinolin-3-yl)acetic acid

C11H9ClN2O2 — CID 4112789

IUPAC2-amino-2-(2-chloroquinolin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H9ClN2O2/c12-10-7(9(13)11(15)16)5-6-3-1-2-4-8(6)14-10/h1-5,9H,13H2,(H,15,16)
InChIKeyAKAZIKHEMLKQOJ-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.97
Rot. Bonds2

About 2-amino-2-(2-chloroquinolin-3-yl)acetic acid

2-amino-2-(2-chloroquinolin-3-yl)acetic acid (PubChem CID 4112789) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-amino-2-(2-chloroquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-chloroquinolin-3-yl)acetic acid
PubChem CID4112789
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-amino-2-(2-chloroquinolin-3-yl)acetic acid
SMILESNC(C(=O)O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H9ClN2O2/c12-10-7(9(13)11(15)16)5-6-3-1-2-4-8(6)14-10/h1-5,9H,13H2,(H,15,16)
InChIKeyAKAZIKHEMLKQOJ-UHFFFAOYSA-N
XLogP1.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856
2-(2-chloroquinolin-3-yl)propanoic acid
CID 116985221
(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
CID 171234837
(1S)-1-(2-chloroquinolin-3-yl)butan-1-amine
CID 131617747
2-[2-(dicarboxymethyl)quinolin-3-yl]propanedioic acid
CID 174339019
(R)-(2-chloroquinolin-3-yl)-thiophen-3-ylmethanamine
CID 171215211
1-(2-chloroquinolin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170820647
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloroquinolin-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-chloroquinolin-3-yl)acetic acid (CID 4112789) is 2-amino-2-(2-chloroquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-chloroquinolin-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-chloroquinolin-3-yl)acetic acid is NC(C(=O)O)c1cc2ccccc2nc1Cl.
What is the InChIKey of 2-amino-2-(2-chloroquinolin-3-yl)acetic acid?
The InChIKey is AKAZIKHEMLKQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-10-7(9(13)11(15)16)5-6-3-1-2-4-8(6)14-10/h1-5,9H,13H2,(H,15,16).
What are the key properties of 2-amino-2-(2-chloroquinolin-3-yl)acetic acid?
2-amino-2-(2-chloroquinolin-3-yl)acetic acid has a molecular weight of 236.66 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloroquinolin-3-yl)acetic acid is sourced from PubChem (CID 4112789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).