methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate

C18H20N2O3 — CID 97064012

IUPACmethyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC[C@@H]2c2cccc(OC)c2)ccn1
InChIInChI=1S/C18H20N2O3/c1-22-15-6-3-5-13(11-15)17-7-4-10-20(17)14-8-9-19-16(12-14)18(21)23-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3/t17-/m1/s1
InChIKeyKMEIMNPVHUFMHC-QGZVFWFLSA-N
MW312.37 g/mol
LogP3.22
Rot. Bonds4

About methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate

methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate (PubChem CID 97064012) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
PubChem CID97064012
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC[C@@H]2c2cccc(OC)c2)ccn1
InChIInChI=1S/C18H20N2O3/c1-22-15-6-3-5-13(11-15)17-7-4-10-20(17)14-8-9-19-16(12-14)18(21)23-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3/t17-/m1/s1
InChIKeyKMEIMNPVHUFMHC-QGZVFWFLSA-N
XLogP3.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 154794501
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
[5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133333516
dimethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,4-dicarboxylate
CID 55508527
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
1-[4-(difluoromethylsulfonyl)phenyl]-2-(3-methoxyphenyl)pyrrolidine
CID 133333515
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(1-pyridin-4-ylpyrazol-3-yl)methanone
CID 166233083
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate (CID 97064012) is methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate is COC(=O)c1cc(N2CCC[C@@H]2c2cccc(OC)c2)ccn1.
What is the InChIKey of methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
The InChIKey is KMEIMNPVHUFMHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-15-6-3-5-13(11-15)17-7-4-10-20(17)14-8-9-19-16(12-14)18(21)23-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate?
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 97064012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).