(3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid

C19H25NO3 — CID 120978070

IUPAC(3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(C)(C)C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc1
InChIInChI=1S/C19H25NO3/c1-12-4-8-14(9-5-12)19(2,3)18(23)20-10-15(13-6-7-13)16(11-20)17(21)22/h4-5,8-9,13,15-16H,6-7,10-11H2,1-3H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyGKYFEJVEGALZKU-CVEARBPZSA-N
MW315.41 g/mol
LogP2.84
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 120978070) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID120978070
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(C)(C)C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc1
InChIInChI=1S/C19H25NO3/c1-12-4-8-14(9-5-12)19(2,3)18(23)20-10-15(13-6-7-13)16(11-20)17(21)22/h4-5,8-9,13,15-16H,6-7,10-11H2,1-3H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyGKYFEJVEGALZKU-CVEARBPZSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 120979366
(3R,4R)-4-cyclopropyl-1-[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 120979914
5-methyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122119751
(3R,4R)-4-cyclopropyl-1-(2,2-dimethylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120979600
(3R,4R)-1-[2-(4-tert-butylphenoxy)acetyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979912
2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
(3R,4R)-4-cyclopropyl-1-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]pyrrolidine-3-carboxylic acid
CID 120978075
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
(3R,4R)-4-cyclopropyl-1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 120979181
1-[2-(4-aminophenyl)-2-methylpropanoyl]azetidine-3-carboxylic acid
CID 80556175

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid (CID 120978070) is (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid is Cc1ccc(C(C)(C)C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GKYFEJVEGALZKU-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-4-8-14(9-5-12)19(2,3)18(23)20-10-15(13-6-7-13)16(11-20)17(21)22/h4-5,8-9,13,15-16H,6-7,10-11H2,1-3H3,(H,21,22)/t15-,16+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120978070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).