ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate

C15H18N2O2 — CID 79237557

IUPACethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
SMILESCCOC(=O)CC(N)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-19-15(18)9-13(16)12-8-10(2)17-14-7-5-4-6-11(12)14/h4-8,13H,3,9,16H2,1-2H3
InChIKeyYOGNSEJUTFDXQK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.50
Rot. Bonds4

About ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate

ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate (PubChem CID 79237557) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
PubChem CID79237557
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
SMILESCCOC(=O)CC(N)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-19-15(18)9-13(16)12-8-10(2)17-14-7-5-4-6-11(12)14/h4-8,13H,3,9,16H2,1-2H3
InChIKeyYOGNSEJUTFDXQK-UHFFFAOYSA-N
XLogP2.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
CID 171197606
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
2-(3-methylphenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105091263
2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087104
2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087602
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate?
The IUPAC name of ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate (CID 79237557) is ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate is CCOC(=O)CC(N)c1cc(C)nc2ccccc12.
What is the InChIKey of ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate?
The InChIKey is YOGNSEJUTFDXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-19-15(18)9-13(16)12-8-10(2)17-14-7-5-4-6-11(12)14/h4-8,13H,3,9,16H2,1-2H3.
What are the key properties of ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate?
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate has a molecular weight of 258.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate is sourced from PubChem (CID 79237557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).