methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate

C14H18N2O3 — CID 91072621

IUPACmethyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate
SMILESC=Cc1cccnc1O[C@@H]1C[C@@H](C)N(C(=O)OC)C1
InChIInChI=1S/C14H18N2O3/c1-4-11-6-5-7-15-13(11)19-12-8-10(2)16(9-12)14(17)18-3/h4-7,10,12H,1,8-9H2,2-3H3/t10-,12-/m1/s1
InChIKeyWUGIAUIYMXOODO-ZYHUDNBSSA-N
MW262.31 g/mol
LogP2.33
Rot. Bonds3

About methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate

methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate (PubChem CID 91072621) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate
PubChem CID91072621
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate
SMILESC=Cc1cccnc1O[C@@H]1C[C@@H](C)N(C(=O)OC)C1
InChIInChI=1S/C14H18N2O3/c1-4-11-6-5-7-15-13(11)19-12-8-10(2)16(9-12)14(17)18-3/h4-7,10,12H,1,8-9H2,2-3H3/t10-,12-/m1/s1
InChIKeyWUGIAUIYMXOODO-ZYHUDNBSSA-N
XLogP2.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
CID 57169816
methyl (2R,4S)-2-methyl-4-[4-(phenylmethoxycarbonylaminomethyl)phenoxy]pyrrolidine-1-carboxylate
CID 57135918
dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
CID 756933
methyl (2S,4R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-(7-ethenylisoquinolin-1-yl)oxypyrrolidine-2-carboxylate
CID 44549477
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847
1-O-tert-butyl 2-O-methyl (2R,4R)-4-[(2-chloro-3-pyridinyl)oxy]pyrrolidine-1,2-dicarboxylate
CID 178165179
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139
[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
CID 67478740
tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 147795105
3-methyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]but-2-en-1-one
CID 122250982
(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide
CID 170877006
methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90102185

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate (CID 91072621) is methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate is C=Cc1cccnc1O[C@@H]1C[C@@H](C)N(C(=O)OC)C1.
What is the InChIKey of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
The InChIKey is WUGIAUIYMXOODO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-11-6-5-7-15-13(11)19-12-8-10(2)16(9-12)14(17)18-3/h4-7,10,12H,1,8-9H2,2-3H3/t10-,12-/m1/s1.
What are the key properties of methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate?
methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 91072621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).