methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate

C18H27N3O5 — CID 118868316

IUPACmethyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1
InChIInChI=1S/C18H27N3O5/c1-17(2,3)26-16(23)21-9-13(18(4,5)10-21)25-12-7-11(15(22)24-6)8-20-14(12)19/h7-8,13H,9-10H2,1-6H3,(H2,19,20)/t13-/m0/s1
InChIKeyNRUPOQHCHQYFIN-ZDUSSCGKSA-N
MW365.43 g/mol
LogP2.47
Rot. Bonds3

About methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate

methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate (PubChem CID 118868316) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
PubChem CID118868316
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Namemethyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1
InChIInChI=1S/C18H27N3O5/c1-17(2,3)26-16(23)21-9-13(18(4,5)10-21)25-12-7-11(15(22)24-6)8-20-14(12)19/h7-8,13H,9-10H2,1-6H3,(H2,19,20)/t13-/m0/s1
InChIKeyNRUPOQHCHQYFIN-ZDUSSCGKSA-N
XLogP2.47
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate
CID 122439079
methyl 6-amino-5-[(3S)-4,4-difluoro-1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 122449594
tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate
CID 118868276
6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate
CID 158116038
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
tert-butyl 4-acetyloxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 155742097
methyl 5-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 69169990
tert-butyl 4-(3-chloro-5-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 67401100
tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate
CID 70861209
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate (CID 118868316) is methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate is COC(=O)c1cnc(N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1.
What is the InChIKey of methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate?
The InChIKey is NRUPOQHCHQYFIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-17(2,3)26-16(23)21-9-13(18(4,5)10-21)25-12-7-11(15(22)24-6)8-20-14(12)19/h7-8,13H,9-10H2,1-6H3,(H2,19,20)/t13-/m0/s1.
What are the key properties of methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate?
methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 118868316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).