(3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C21H26N2O4 — CID 120979410

IUPAC(3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCc1ccc(N2CC(C(=O)N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CC2=O)cc1
InChIInChI=1S/C21H26N2O4/c1-2-13-3-7-16(8-4-13)23-10-15(9-19(23)24)20(25)22-11-17(14-5-6-14)18(12-22)21(26)27/h3-4,7-8,14-15,17-18H,2,5-6,9-12H2,1H3,(H,26,27)/t15?,17-,18+/m1/s1
InChIKeyJEPOKPJSAQYACE-KVJCIMDZSA-N
MW370.45 g/mol
LogP2.17
Rot. Bonds5

About (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120979410) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120979410
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCc1ccc(N2CC(C(=O)N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CC2=O)cc1
InChIInChI=1S/C21H26N2O4/c1-2-13-3-7-16(8-4-13)23-10-15(9-19(23)24)20(25)22-11-17(14-5-6-14)18(12-22)21(26)27/h3-4,7-8,14-15,17-18H,2,5-6,9-12H2,1H3,(H,26,27)/t15?,17-,18+/m1/s1
InChIKeyJEPOKPJSAQYACE-KVJCIMDZSA-N
XLogP2.17
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
1-(4-ethylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995208
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119594440
N-[1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 46464404

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 120979410) is (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid is CCc1ccc(N2CC(C(=O)N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CC2=O)cc1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JEPOKPJSAQYACE-KVJCIMDZSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-2-13-3-7-16(8-4-13)23-10-15(9-19(23)24)20(25)22-11-17(14-5-6-14)18(12-22)21(26)27/h3-4,7-8,14-15,17-18H,2,5-6,9-12H2,1H3,(H,26,27)/t15?,17-,18+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120979410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).