2-amino-3-(2-phenylquinolin-6-yl)propanoic acid

C18H16N2O2 — CID 90896454

IUPAC2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
SMILESNC(Cc1ccc2nc(-c3ccccc3)ccc2c1)C(=O)O
InChIInChI=1S/C18H16N2O2/c19-15(18(21)22)11-12-6-8-17-14(10-12)7-9-16(20-17)13-4-2-1-3-5-13/h1-10,15H,11,19H2,(H,21,22)
InChIKeyMBOKIOFNPIQCPS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.86
Rot. Bonds4

About 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid

2-amino-3-(2-phenylquinolin-6-yl)propanoic acid (PubChem CID 90896454) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
PubChem CID90896454
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
SMILESNC(Cc1ccc2nc(-c3ccccc3)ccc2c1)C(=O)O
InChIInChI=1S/C18H16N2O2/c19-15(18(21)22)11-12-6-8-17-14(10-12)7-9-16(20-17)13-4-2-1-3-5-13/h1-10,15H,11,19H2,(H,21,22)
InChIKeyMBOKIOFNPIQCPS-UHFFFAOYSA-N
XLogP2.86
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2-phenylquinolin-6-yl)urea
CID 54532809
methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate
CID 24755552
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid (CID 90896454) is 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid is NC(Cc1ccc2nc(-c3ccccc3)ccc2c1)C(=O)O.
What is the InChIKey of 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid?
The InChIKey is MBOKIOFNPIQCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-15(18(21)22)11-12-6-8-17-14(10-12)7-9-16(20-17)13-4-2-1-3-5-13/h1-10,15H,11,19H2,(H,21,22).
What are the key properties of 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid?
2-amino-3-(2-phenylquinolin-6-yl)propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-phenylquinolin-6-yl)propanoic acid is sourced from PubChem (CID 90896454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).