methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate

C19H22N2O3 — CID 168942077

IUPACmethyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CCCN1c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C19H22N2O3/c1-19(18(22)23-2)12-7-13-21(19)16-10-6-11-17(20-16)24-14-15-8-4-3-5-9-15/h3-6,8-11H,7,12-14H2,1-2H3/t19-/m1/s1
InChIKeyZUVLWOVAMXUZDS-LJQANCHMSA-N
MW326.40 g/mol
LogP3.19
Rot. Bonds5

About methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate

methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate (PubChem CID 168942077) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate
PubChem CID168942077
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@]1(C)CCCN1c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C19H22N2O3/c1-19(18(22)23-2)12-7-13-21(19)16-10-6-11-17(20-16)24-14-15-8-4-3-5-9-15/h3-6,8-11H,7,12-14H2,1-2H3/t19-/m1/s1
InChIKeyZUVLWOVAMXUZDS-LJQANCHMSA-N
XLogP3.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 168942281
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
3-methoxy-2-[2-[(6-pyrrolidin-1-yl-2-pyridinyl)oxymethyl]phenyl]but-2-enoic acid
CID 66970244
methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
CID 86834370
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate
CID 119051586
1-O-benzyl 3-O-methyl (3S)-3-ethylpiperidine-1,3-dicarboxylate
CID 97103844
methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate
CID 175092778

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate (CID 168942077) is methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate is COC(=O)[C@@]1(C)CCCN1c1cccc(OCc2ccccc2)n1.
What is the InChIKey of methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate?
The InChIKey is ZUVLWOVAMXUZDS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(18(22)23-2)12-7-13-21(19)16-10-6-11-17(20-16)24-14-15-8-4-3-5-9-15/h3-6,8-11H,7,12-14H2,1-2H3/t19-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate?
methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-1-(6-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 168942077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).