(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid

C19H21NO3 — CID 66700307

IUPAC(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCN1C(c2ccc(OCc3ccccc3)cc2)CC[C@@H]1C(=O)O
InChIInChI=1S/C19H21NO3/c1-20-17(11-12-18(20)19(21)22)15-7-9-16(10-8-15)23-13-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17?,18-/m1/s1
InChIKeySPKVWIZRGMQXRC-QRWMCTBCSA-N
MW311.38 g/mol
LogP3.49
Rot. Bonds5

About (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid

(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid (PubChem CID 66700307) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
PubChem CID66700307
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCN1C(c2ccc(OCc3ccccc3)cc2)CC[C@@H]1C(=O)O
InChIInChI=1S/C19H21NO3/c1-20-17(11-12-18(20)19(21)22)15-7-9-16(10-8-15)23-13-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17?,18-/m1/s1
InChIKeySPKVWIZRGMQXRC-QRWMCTBCSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 91514351
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
tert-butyl (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 169114013
2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 42728839
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 112766807
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
1-[(3R)-5-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135831365
(2R)-5-aminooxy-1-(4-phenylmethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 70216579
2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 151797160
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone
CID 171939135

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid (CID 66700307) is (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid is CN1C(c2ccc(OCc3ccccc3)cc2)CC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SPKVWIZRGMQXRC-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20-17(11-12-18(20)19(21)22)15-7-9-16(10-8-15)23-13-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17?,18-/m1/s1.
What are the key properties of (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid?
(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66700307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).