tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate

C20H27N3O4 — CID 163582202

IUPACtert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
SMILESCOc1ccc2nc(C)c(O[C@H]3CN[C@H](C(=O)OC(C)(C)C)C3C)nc2c1
InChIInChI=1S/C20H27N3O4/c1-11-16(10-21-17(11)19(24)27-20(3,4)5)26-18-12(2)22-14-8-7-13(25-6)9-15(14)23-18/h7-9,11,16-17,21H,10H2,1-6H3/t11?,16-,17-/m0/s1
InChIKeyGIMRRLJZKUGFON-VCXXOSRUSA-N
MW373.45 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate

tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate (PubChem CID 163582202) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
PubChem CID163582202
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nametert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
SMILESCOc1ccc2nc(C)c(O[C@H]3CN[C@H](C(=O)OC(C)(C)C)C3C)nc2c1
InChIInChI=1S/C20H27N3O4/c1-11-16(10-21-17(11)19(24)27-20(3,4)5)26-18-12(2)22-14-8-7-13(25-6)9-15(14)23-18/h7-9,11,16-17,21H,10H2,1-6H3/t11?,16-,17-/m0/s1
InChIKeyGIMRRLJZKUGFON-VCXXOSRUSA-N
XLogP2.64
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
CID 123247499
2-methylpropyl (2S,4R)-4-[3-(1,1-difluoroprop-2-enyl)-7-methoxyquinoxalin-2-yl]oxy-3-methylpyrrolidine-2-carboxylate
CID 163814697
5-[(2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-2-carboxylic acid
CID 137368076
1-O-tert-butyl 2-O-(2-methylpropyl) (2S,4R)-3-ethyl-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylate
CID 163425058
2-methylpropyl (2S,3S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-ethylpyrrolidine-2-carboxylate
CID 129057844
2-methylpropyl (2S,3S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-propylpyrrolidine-2-carboxylate
CID 129057949
CID 161229652
CID 161229652
2-methylpropyl (2S,3S,4R)-3-benzyl-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-2-carboxylate
CID 129057883
4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-5-[(2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid
CID 137368272
1-O-tert-butyl 2-O-methyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-cyclopropylpyrrolidine-1,2-dicarboxylate
CID 123790956
(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 137368071
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-2-carboxylate
CID 58428450

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate (CID 163582202) is tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate is COc1ccc2nc(C)c(O[C@H]3CN[C@H](C(=O)OC(C)(C)C)C3C)nc2c1.
What is the InChIKey of tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
The InChIKey is GIMRRLJZKUGFON-VCXXOSRUSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-11-16(10-21-17(11)19(24)27-20(3,4)5)26-18-12(2)22-14-8-7-13(25-6)9-15(14)23-18/h7-9,11,16-17,21H,10H2,1-6H3/t11?,16-,17-/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 163582202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).