(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid

C17H23NO4 — CID 124685750

IUPAC(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C(C)(C)C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO4/c1-16(2,12-5-7-13(22-4)8-6-12)14(19)18-10-9-17(3,11-18)15(20)21/h5-8H,9-11H2,1-4H3,(H,20,21)/t17-/m1/s1
InChIKeyOFLLHRYYBDAVJZ-QGZVFWFLSA-N
MW305.37 g/mol
LogP2.30
Rot. Bonds4

About (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 124685750) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID124685750
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C(C)(C)C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO4/c1-16(2,12-5-7-13(22-4)8-6-12)14(19)18-10-9-17(3,11-18)15(20)21/h5-8H,9-11H2,1-4H3,(H,20,21)/t17-/m1/s1
InChIKeyOFLLHRYYBDAVJZ-QGZVFWFLSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-aminophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 80555695
1-[2-(4-bromophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256562
1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257583
3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119256395
(3R)-3-hydroxy-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 129486064
1-[2-(4-methoxyphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257095
(3S)-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686012
(3R)-1-[(3S)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686007
(3S)-1-[(3R)-3-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686852
(3R)-1-[4-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686375
(3R)-1-[(2R)-3-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686578
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 82038036

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 124685750) is (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid is COc1ccc(C(C)(C)C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is OFLLHRYYBDAVJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(2,12-5-7-13(22-4)8-6-12)14(19)18-10-9-17(3,11-18)15(20)21/h5-8H,9-11H2,1-4H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124685750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).