(2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid

C18H16N2O2 — CID 152585854

IUPAC(2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1-c1cnc2ccccc2c1)C(=O)O
InChIInChI=1S/C18H16N2O2/c19-16(18(21)22)10-12-5-1-3-7-15(12)14-9-13-6-2-4-8-17(13)20-11-14/h1-9,11,16H,10,19H2,(H,21,22)/t16-/m0/s1
InChIKeyYULBDNQPZBXCIU-INIZCTEOSA-N
MW292.34 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid

(2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid (PubChem CID 152585854) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid
PubChem CID152585854
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1-c1cnc2ccccc2c1)C(=O)O
InChIInChI=1S/C18H16N2O2/c19-16(18(21)22)10-12-5-1-3-7-15(12)14-9-13-6-2-4-8-17(13)20-11-14/h1-9,11,16H,10,19H2,(H,21,22)/t16-/m0/s1
InChIKeyYULBDNQPZBXCIU-INIZCTEOSA-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

3-(aminomethyl)-4-quinolin-3-ylbenzoic acid
CID 142468627
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
(2S)-2-amino-3-(quinolin-3-ylmethylsulfanyl)propanoic acid
CID 114203513
2-quinolin-3-ylaniline
CID 4134401
2-amino-3-(5-phenylpyrimidin-2-yl)propanoic acid
CID 115044956
(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid
CID 177277795
(2S)-2-amino-3-isoquinolin-4-ylpropanoic acid
CID 103693021
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
CID 152754952
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
5-quinolin-3-ylpyrazin-2-amine
CID 29188711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid (CID 152585854) is (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid is N[C@@H](Cc1ccccc1-c1cnc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid?
The InChIKey is YULBDNQPZBXCIU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-16(18(21)22)10-12-5-1-3-7-15(12)14-9-13-6-2-4-8-17(13)20-11-14/h1-9,11,16H,10,19H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid?
(2S)-2-amino-3-(2-quinolin-3-ylphenyl)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 (2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 152585854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).