(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid

C16H17N3O6 — CID 137368071

IUPAC(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
SMILESCOc1ccc2nc(C)c(O[C@@H]3C[C@H](C(=O)O)N(C(=O)O)C3)nc2c1
InChIInChI=1S/C16H17N3O6/c1-8-14(18-12-5-9(24-2)3-4-11(12)17-8)25-10-6-13(15(20)21)19(7-10)16(22)23/h3-5,10,13H,6-7H2,1-2H3,(H,20,21)(H,22,23)/t10-,13-/m1/s1
InChIKeyUCBOOMZSVFGXQI-ZWNOBZJWSA-N
MW347.33 g/mol
LogP1.53
Rot. Bonds4

About (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid

(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid (PubChem CID 137368071) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
PubChem CID137368071
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
SMILESCOc1ccc2nc(C)c(O[C@@H]3C[C@H](C(=O)O)N(C(=O)O)C3)nc2c1
InChIInChI=1S/C16H17N3O6/c1-8-14(18-12-5-9(24-2)3-4-11(12)17-8)25-10-6-13(15(20)21)19(7-10)16(22)23/h3-5,10,13H,6-7H2,1-2H3,(H,20,21)(H,22,23)/t10-,13-/m1/s1
InChIKeyUCBOOMZSVFGXQI-ZWNOBZJWSA-N
XLogP1.53
TPSA122.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-2-methoxycarbonyl-4-[7-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxypyrrolidine-1-carboxylic acid
CID 159944072
(2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 87561426
1-O-tert-butyl 2-O-methyl (2S,4R)-4-[7-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxypyrrolidine-1,2-dicarboxylate
CID 142505563
(2S,4R)-4-(7-methoxy-3-propan-2-ylquinoxalin-2-yl)oxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]pyrrolidine-2-carboxylic acid
CID 146443177
(2S,4S)-4-(4-methoxyphenoxy)-1-(2-sulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 22819370
1-O-tert-butyl 2-O-methyl 4-(6-methoxy-2-methylquinazolin-4-yl)oxypyrrolidine-1,2-dicarboxylate
CID 23595568
1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048390
4-(7-chloroisoquinolin-1-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 22250215
2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline
CID 90367686
2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
CID 141060869
(2S,4R)-4-(3-bromo-4-phenylmethoxyquinolin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 146191345
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-ium-2-carboxylate
CID 144537760

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid (CID 137368071) is (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid is COc1ccc2nc(C)c(O[C@@H]3C[C@H](C(=O)O)N(C(=O)O)C3)nc2c1.
What is the InChIKey of (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid?
The InChIKey is UCBOOMZSVFGXQI-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-8-14(18-12-5-9(24-2)3-4-11(12)17-8)25-10-6-13(15(20)21)19(7-10)16(22)23/h3-5,10,13H,6-7H2,1-2H3,(H,20,21)(H,22,23)/t10-,13-/m1/s1.
What are the key properties of (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid has a molecular weight of 347.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 137368071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).