(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C19H27NO4 — CID 118551204

IUPAC(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCCO[C@@]1(C(=O)O)CN(C2CCCC2)C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H27NO4/c1-3-24-19(18(21)22)13-20(15-6-4-5-7-15)12-17(19)14-8-10-16(23-2)11-9-14/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,21,22)/t17-,19-/m0/s1
InChIKeyGTRFZMOHXBHETJ-HKUYNNGSSA-N
MW333.43 g/mol
LogP2.90
Rot. Bonds6

About (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 118551204) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID118551204
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCCO[C@@]1(C(=O)O)CN(C2CCCC2)C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H27NO4/c1-3-24-19(18(21)22)13-20(15-6-4-5-7-15)12-17(19)14-8-10-16(23-2)11-9-14/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,21,22)/t17-,19-/m0/s1
InChIKeyGTRFZMOHXBHETJ-HKUYNNGSSA-N
XLogP2.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-ethoxy-1-(4-methoxycyclohexyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 118551205
(3R,4R)-1-(4-ethoxycyclohexyl)-3-methoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 130195756
(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 155019917
methyl (3R,4R)-1-cyclohexyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 130187181
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
2-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]sulfanylacetic acid
CID 125464157
1-[2-[(3S,5S)-1-[(3R,4R)-1-cyclopentyl-3-methoxy-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-5-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 130195856
N-[(3R,4S)-1-cyclopentyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-3-methoxypropanamide
CID 72857344
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195
anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
CID 144968395
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 118551204) is (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is CCO[C@@]1(C(=O)O)CN(C2CCCC2)C[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GTRFZMOHXBHETJ-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-24-19(18(21)22)13-20(15-6-4-5-7-15)12-17(19)14-8-10-16(23-2)11-9-14/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,21,22)/t17-,19-/m0/s1.
What are the key properties of (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118551204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).