(2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane

C14H18N2O3 — CID 91253152

IUPAC(2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane
SMILESCC.N[C@@H](Cc1ccc2cccc(O)c2n1)C(=O)O
InChIInChI=1S/C12H12N2O3.C2H6/c13-9(12(16)17)6-8-5-4-7-2-1-3-10(15)11(7)14-8;1-2/h1-5,9,15H,6,13H2,(H,16,17);1-2H3/t9-;/m0./s1
InChIKeyJTCCCEAQVHRZTD-FVGYRXGTSA-N
MW262.31 g/mol
LogP1.92
Rot. Bonds3

About (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane

(2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane (PubChem CID 91253152) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane.

Molecular Properties

Compound Name(2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane
PubChem CID91253152
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane
SMILESCC.N[C@@H](Cc1ccc2cccc(O)c2n1)C(=O)O
InChIInChI=1S/C12H12N2O3.C2H6/c13-9(12(16)17)6-8-5-4-7-2-1-3-10(15)11(7)14-8;1-2/h1-5,9,15H,6,13H2,(H,16,17);1-2H3/t9-;/m0./s1
InChIKeyJTCCCEAQVHRZTD-FVGYRXGTSA-N
XLogP1.92
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(8-hydroxyquinolin-2-yl)methyl]-1-phenylbutane-1,3-dione
CID 177402828
(2S)-2-amino-3-[8-[5-(2-amino-2-carboxyethyl)-1-methylimidazol-4-yl]quinolin-2-yl]propanoic acid
CID 135127062
CID 10695390
CID 10695390
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
2-(8-hydroxyquinolin-2-yl)-1-phenylethanone
CID 174915828
(2S)-2-amino-3-(6-formyl-2-pyridinyl)propanoic acid
CID 55297066
3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243060
2-[(8-hydroxyquinolin-2-yl)amino]propanoic acid
CID 174996236
2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
CID 67454262
2-(2-methylpropoxymethyl)quinolin-8-ol
CID 175691376
(2S)-2-aminopropanoic acid;cobalt;quinolin-8-ol
CID 11982278
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane?
The IUPAC name of (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane (CID 91253152) is (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane.
What is the SMILES notation for (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane?
The canonical SMILES for (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane is CC.N[C@@H](Cc1ccc2cccc(O)c2n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane?
The InChIKey is JTCCCEAQVHRZTD-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H12N2O3.C2H6/c13-9(12(16)17)6-8-5-4-7-2-1-3-10(15)11(7)14-8;1-2/h1-5,9,15H,6,13H2,(H,16,17);1-2H3/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane?
(2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane has a molecular weight of 262.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane is sourced from PubChem (CID 91253152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).