(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid

C13H13NO3 — CID 30048247

IUPAC(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccc2cccc(O[C@@H](C)C(=O)O)c2n1
InChIInChI=1S/C13H13NO3/c1-8-6-7-10-4-3-5-11(12(10)14-8)17-9(2)13(15)16/h3-7,9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeySPAMQYLJHKNMQA-VIFPVBQESA-N
MW231.25 g/mol
LogP2.40
Rot. Bonds3

About (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid

(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid (PubChem CID 30048247) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
PubChem CID30048247
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccc2cccc(O[C@@H](C)C(=O)O)c2n1
InChIInChI=1S/C13H13NO3/c1-8-6-7-10-4-3-5-11(12(10)14-8)17-9(2)13(15)16/h3-7,9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeySPAMQYLJHKNMQA-VIFPVBQESA-N
XLogP2.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
2-(4-methylquinolin-8-yl)oxypropanoic acid
CID 82580360
2-(2-methoxyphenoxy)-N-(2-methylquinolin-8-yl)propanamide
CID 17012319
2-(1,3-benzothiazol-4-yloxy)propanoic acid
CID 82190108
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
CID 20665518
CID 20665518
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propanoic acid
CID 82190178
CID 87849940
CID 87849940

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid?
The IUPAC name of (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid (CID 30048247) is (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid.
What is the SMILES notation for (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid?
The canonical SMILES for (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid is Cc1ccc2cccc(O[C@@H](C)C(=O)O)c2n1.
What is the InChIKey of (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid?
The InChIKey is SPAMQYLJHKNMQA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-6-7-10-4-3-5-11(12(10)14-8)17-9(2)13(15)16/h3-7,9H,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid?
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid is sourced from PubChem (CID 30048247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).