(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid

C20H23NO5 — CID 69402656

IUPAC(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid
SMILESCOc1cccc(COc2ccc(OC[C@H]3CCCN3C(=O)O)cc2)c1
InChIInChI=1S/C20H23NO5/c1-24-19-6-2-4-15(12-19)13-25-17-7-9-18(10-8-17)26-14-16-5-3-11-21(16)20(22)23/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyAUVOEPOABPBVTM-MRXNPFEDSA-N
MW357.41 g/mol
LogP3.80
Rot. Bonds7

About (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid

(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid (PubChem CID 69402656) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid
PubChem CID69402656
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid
SMILESCOc1cccc(COc2ccc(OC[C@H]3CCCN3C(=O)O)cc2)c1
InChIInChI=1S/C20H23NO5/c1-24-19-6-2-4-15(12-19)13-25-17-7-9-18(10-8-17)26-14-16-5-3-11-21(16)20(22)23/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyAUVOEPOABPBVTM-MRXNPFEDSA-N
XLogP3.80
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
(2R)-1-[2-[(3-methoxyphenyl)methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371716
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
2-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81484743
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
(2S)-2-[(5-amino-2-methoxyphenoxy)methyl]pyrrolidine-1-carboxylic acid
CID 69082020
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 95294095
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid (CID 69402656) is (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid is COc1cccc(COc2ccc(OC[C@H]3CCCN3C(=O)O)cc2)c1.
What is the InChIKey of (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is AUVOEPOABPBVTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-19-6-2-4-15(12-19)13-25-17-7-9-18(10-8-17)26-14-16-5-3-11-21(16)20(22)23/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(3-methoxyphenyl)methoxy]phenoxy]methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69402656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).