(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid

C18H19NO3 — CID 57185513

IUPAC(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](c2ccc(Oc3ccccc3)cc2)CN1C(=O)O
InChIInChI=1S/C18H19NO3/c1-13-11-15(12-19(13)18(20)21)14-7-9-17(10-8-14)22-16-5-3-2-4-6-16/h2-10,13,15H,11-12H2,1H3,(H,20,21)/t13-,15+/m1/s1
InChIKeyBECFJLUYYXSOPE-HIFRSBDPSA-N
MW297.35 g/mol
LogP4.33
Rot. Bonds3

About (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid

(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid (PubChem CID 57185513) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid
PubChem CID57185513
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1C[C@H](c2ccc(Oc3ccccc3)cc2)CN1C(=O)O
InChIInChI=1S/C18H19NO3/c1-13-11-15(12-19(13)18(20)21)14-7-9-17(10-8-14)22-16-5-3-2-4-6-16/h2-10,13,15H,11-12H2,1H3,(H,20,21)/t13-,15+/m1/s1
InChIKeyBECFJLUYYXSOPE-HIFRSBDPSA-N
XLogP4.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
(1-aminocyclopropyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119790908
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid
CID 57085839
2-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-phenylethanone;hydrochloride
CID 119327754
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633950
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 70921389
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119331339

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid (CID 57185513) is (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid is C[C@@H]1C[C@H](c2ccc(Oc3ccccc3)cc2)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is BECFJLUYYXSOPE-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-11-15(12-19(13)18(20)21)14-7-9-17(10-8-14)22-16-5-3-2-4-6-16/h2-10,13,15H,11-12H2,1H3,(H,20,21)/t13-,15+/m1/s1.
What are the key properties of (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid?
(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57185513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).