(2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid

C19H25NO5 — CID 90423804

IUPAC(2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCN1C(=O)C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@H]1C(=O)O
InChIInChI=1S/C19H25NO5/c1-3-20-17(21)11-14(18(20)19(22)23)12-8-9-15(24-2)16(10-12)25-13-6-4-5-7-13/h8-10,13-14,18H,3-7,11H2,1-2H3,(H,22,23)/t14-,18+/m0/s1
InChIKeyIRMGXGYCUYJSBN-KBXCAEBGSA-N
MW347.41 g/mol
LogP2.81
Rot. Bonds6

About (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid

(2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 90423804) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID90423804
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name(2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCN1C(=O)C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@H]1C(=O)O
InChIInChI=1S/C19H25NO5/c1-3-20-17(21)11-14(18(20)19(22)23)12-8-9-15(24-2)16(10-12)25-13-6-4-5-7-13/h8-10,13-14,18H,3-7,11H2,1-2H3,(H,22,23)/t14-,18+/m0/s1
InChIKeyIRMGXGYCUYJSBN-KBXCAEBGSA-N
XLogP2.81
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 90423803
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 22915275
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxopyrazolidine-1-carboxylic acid;hydrate
CID 139607094
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
ethylbenzene;methyl (3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine-1-carboxylate
CID 142074393

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid (CID 90423804) is (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid is CCN1C(=O)C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is IRMGXGYCUYJSBN-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H25NO5/c1-3-20-17(21)11-14(18(20)19(22)23)12-8-9-15(24-2)16(10-12)25-13-6-4-5-7-13/h8-10,13-14,18H,3-7,11H2,1-2H3,(H,22,23)/t14-,18+/m0/s1.
What are the key properties of (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
(2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 347.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 90423804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).