(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

C19H23NO4 — CID 120979232

IUPAC(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(C2CC2C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1
InChIInChI=1S/C19H23NO4/c1-24-13-4-2-3-12(7-13)14-8-15(14)18(21)20-9-16(11-5-6-11)17(10-20)19(22)23/h2-4,7,11,14-17H,5-6,8-10H2,1H3,(H,22,23)/t14?,15?,16-,17+/m1/s1
InChIKeyZIYRUIUNHSSMQG-BACDZXNISA-N
MW329.40 g/mol
LogP2.37
Rot. Bonds5

About (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 120979232) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID120979232
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(C2CC2C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1
InChIInChI=1S/C19H23NO4/c1-24-13-4-2-3-12(7-13)14-8-15(14)18(21)20-9-16(11-5-6-11)17(10-20)19(22)23/h2-4,7,11,14-17H,5-6,8-10H2,1H3,(H,22,23)/t14?,15?,16-,17+/m1/s1
InChIKeyZIYRUIUNHSSMQG-BACDZXNISA-N
XLogP2.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
(3S,4R)-1-acetyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70714398
(3R,4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133114687
2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125150604
(3R,4R)-4-cyclopropyl-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978354
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(3R,4S)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962565
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564
(3R,4S)-1-(5-ethyl-4-methylpyrazolidine-3-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133124749
(3R,4R)-4-cyclopropyl-1-[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978322
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid
CID 72920244

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (CID 120979232) is (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is COc1cccc(C2CC2C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZIYRUIUNHSSMQG-BACDZXNISA-N. The full InChI is InChI=1S/C19H23NO4/c1-24-13-4-2-3-12(7-13)14-8-15(14)18(21)20-9-16(11-5-6-11)17(10-20)19(22)23/h2-4,7,11,14-17H,5-6,8-10H2,1H3,(H,22,23)/t14?,15?,16-,17+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.37, 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-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120979232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).