2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid

C18H16N2O2 — CID 154976329

IUPAC2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
SMILESNC(Cc1ccccc1-c1cccc2ncccc12)C(=O)O
InChIInChI=1S/C18H16N2O2/c19-16(18(21)22)11-12-5-1-2-6-13(12)14-7-3-9-17-15(14)8-4-10-20-17/h1-10,16H,11,19H2,(H,21,22)
InChIKeyDGHNYRSUPDLGDV-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.86
Rot. Bonds4

About 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid

2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid (PubChem CID 154976329) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
PubChem CID154976329
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
SMILESNC(Cc1ccccc1-c1cccc2ncccc12)C(=O)O
InChIInChI=1S/C18H16N2O2/c19-16(18(21)22)11-12-5-1-2-6-13(12)14-7-3-9-17-15(14)8-4-10-20-17/h1-10,16H,11,19H2,(H,21,22)
InChIKeyDGHNYRSUPDLGDV-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

(2-quinolin-5-ylphenyl)methanol
CID 172649381
(2-quinolin-5-ylphenyl)methanamine
CID 81224360
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
(2S)-2-amino-3-(2-quinolin-3-ylphenyl)propanoic acid
CID 152585854
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid
CID 177277795
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
CID 154727412

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid (CID 154976329) is 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid is NC(Cc1ccccc1-c1cccc2ncccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid?
The InChIKey is DGHNYRSUPDLGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-16(18(21)22)11-12-5-1-2-6-13(12)14-7-3-9-17-15(14)8-4-10-20-17/h1-10,16H,11,19H2,(H,21,22).
What are the key properties of 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid?
2-amino-3-(2-quinolin-5-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 2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid is sourced from PubChem (CID 154976329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).