ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate

C15H18N2O3 — CID 18637046

IUPACethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1cnc2ccc(OC)cc2c1
InChIInChI=1S/C15H18N2O3/c1-3-20-15(18)13(16)7-10-6-11-8-12(19-2)4-5-14(11)17-9-10/h4-6,8-9,13H,3,7,16H2,1-2H3/t13-/m0/s1
InChIKeyUHSZCVXEDJWGKV-ZDUSSCGKSA-N
MW274.32 g/mol
LogP1.68
Rot. Bonds5

About ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate

ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate (PubChem CID 18637046) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate
PubChem CID18637046
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1cnc2ccc(OC)cc2c1
InChIInChI=1S/C15H18N2O3/c1-3-20-15(18)13(16)7-10-6-11-8-12(19-2)4-5-14(11)17-9-10/h4-6,8-9,13H,3,7,16H2,1-2H3/t13-/m0/s1
InChIKeyUHSZCVXEDJWGKV-ZDUSSCGKSA-N
XLogP1.68
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;(6-methoxyquinolin-3-yl)methanol
CID 174710700
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
ethyl 2-(7-methoxyquinolin-3-yl)acetate
CID 90417413
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
CID 68817802
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate (CID 18637046) is ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate is CCOC(=O)[C@@H](N)Cc1cnc2ccc(OC)cc2c1.
What is the InChIKey of ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate?
The InChIKey is UHSZCVXEDJWGKV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-20-15(18)13(16)7-10-6-11-8-12(19-2)4-5-14(11)17-9-10/h4-6,8-9,13H,3,7,16H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate?
ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate has a molecular weight of 274.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate is sourced from PubChem (CID 18637046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).