methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate

C20H19N3O4 — CID 134130381

IUPACmethyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(Oc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C20H19N3O4/c1-12-19(23-17-7-5-4-6-16(17)21-12)27-15-10-8-14(9-11-15)18(24)22-13(2)20(25)26-3/h4-11,13H,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyJJVUNIMHVOTYDO-ZDUSSCGKSA-N
MW365.39 g/mol
LogP3.02
Rot. Bonds5

About methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate

methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate (PubChem CID 134130381) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate
PubChem CID134130381
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(Oc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C20H19N3O4/c1-12-19(23-17-7-5-4-6-16(17)21-12)27-15-10-8-14(9-11-15)18(24)22-13(2)20(25)26-3/h4-11,13H,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyJJVUNIMHVOTYDO-ZDUSSCGKSA-N
XLogP3.02
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate (CID 134130381) is methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)c1ccc(Oc2nc3ccccc3nc2C)cc1.
What is the InChIKey of methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate?
The InChIKey is JJVUNIMHVOTYDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-19(23-17-7-5-4-6-16(17)21-12)27-15-10-8-14(9-11-15)18(24)22-13(2)20(25)26-3/h4-11,13H,1-3H3,(H,22,24)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate?
methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate has a molecular weight of 365.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoate is sourced from PubChem (CID 134130381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).