2-(4-ethylisoquinolin-7-yl)propanoic acid

C14H15NO2 — CID 117330544

IUPAC2-(4-ethylisoquinolin-7-yl)propanoic acid
SMILESCCc1cncc2cc(C(C)C(=O)O)ccc12
InChIInChI=1S/C14H15NO2/c1-3-10-7-15-8-12-6-11(4-5-13(10)12)9(2)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyPSCZEWAJIIADNN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.99
Rot. Bonds3

About 2-(4-ethylisoquinolin-7-yl)propanoic acid

2-(4-ethylisoquinolin-7-yl)propanoic acid (PubChem CID 117330544) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(4-ethylisoquinolin-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethylisoquinolin-7-yl)propanoic acid
PubChem CID117330544
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(4-ethylisoquinolin-7-yl)propanoic acid
SMILESCCc1cncc2cc(C(C)C(=O)O)ccc12
InChIInChI=1S/C14H15NO2/c1-3-10-7-15-8-12-6-11(4-5-13(10)12)9(2)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyPSCZEWAJIIADNN-UHFFFAOYSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylisoquinolin-7-yl)-2-methylpropanoic acid
CID 117360196
(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
CID 149459018
2-phthalazin-6-ylpropanoic acid
CID 117290775
2-(1-ethylindazol-5-yl)propanoic acid
CID 84724339
2-amino-2-(4-propan-2-ylisoquinolin-7-yl)acetic acid
CID 117362583
2-(5-methylnaphthalen-2-yl)propanoic acid
CID 54247261
2-(4-ethylisoquinolin-7-yl)ethanamine
CID 117289480
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314723
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
CID 13075209
2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
CID 105491045

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylisoquinolin-7-yl)propanoic acid?
The IUPAC name of 2-(4-ethylisoquinolin-7-yl)propanoic acid (CID 117330544) is 2-(4-ethylisoquinolin-7-yl)propanoic acid.
What is the SMILES notation for 2-(4-ethylisoquinolin-7-yl)propanoic acid?
The canonical SMILES for 2-(4-ethylisoquinolin-7-yl)propanoic acid is CCc1cncc2cc(C(C)C(=O)O)ccc12.
What is the InChIKey of 2-(4-ethylisoquinolin-7-yl)propanoic acid?
The InChIKey is PSCZEWAJIIADNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-10-7-15-8-12-6-11(4-5-13(10)12)9(2)14(16)17/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-ethylisoquinolin-7-yl)propanoic acid?
2-(4-ethylisoquinolin-7-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylisoquinolin-7-yl)propanoic acid is sourced from PubChem (CID 117330544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).