(2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid

C19H17N3O4 — CID 134129884

IUPAC(2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid
SMILESCc1nc2ccccc2nc1Oc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C19H17N3O4/c1-11-18(22-16-6-4-3-5-15(16)20-11)26-14-9-7-13(8-10-14)17(23)21-12(2)19(24)25/h3-10,12H,1-2H3,(H,21,23)(H,24,25)/t12-/m0/s1
InChIKeyXSPIYGOSQXHRCW-LBPRGKRZSA-N
MW351.36 g/mol
LogP2.93
Rot. Bonds5

About (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid

(2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid (PubChem CID 134129884) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid
PubChem CID134129884
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid
SMILESCc1nc2ccccc2nc1Oc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C19H17N3O4/c1-11-18(22-16-6-4-3-5-15(16)20-11)26-14-9-7-13(8-10-14)17(23)21-12(2)19(24)25/h3-10,12H,1-2H3,(H,21,23)(H,24,25)/t12-/m0/s1
InChIKeyXSPIYGOSQXHRCW-LBPRGKRZSA-N
XLogP2.93
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid (CID 134129884) is (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid is Cc1nc2ccccc2nc1Oc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid?
The InChIKey is XSPIYGOSQXHRCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-18(22-16-6-4-3-5-15(16)20-11)26-14-9-7-13(8-10-14)17(23)21-12(2)19(24)25/h3-10,12H,1-2H3,(H,21,23)(H,24,25)/t12-/m0/s1.
What are the key properties of (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid?
(2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid has a molecular weight of 351.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(3-methylquinoxalin-2-yl)oxybenzoyl]amino]propanoic acid is sourced from PubChem (CID 134129884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).