1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid

C16H21NO4 — CID 119257583

IUPAC1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC(C)(C(=O)N1CCC(C)(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-15(14(19)20)9-10-17(11-15)13(18)16(2,21-3)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,19,20)
InChIKeyCENDAZXOYOYOJQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119257583) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119257583
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC(C)(C(=O)N1CCC(C)(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-15(14(19)20)9-10-17(11-15)13(18)16(2,21-3)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,19,20)
InChIKeyCENDAZXOYOYOJQ-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124685750
3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119256395
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)piperidine-3-carboxylic acid
CID 119167919
(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119174314
1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65267054
3-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 63146569
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
2-[4-(2-methoxy-2-phenylpropanoyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-10-yl]acetic acid
CID 175664555

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 119257583) is 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid is COC(C)(C(=O)N1CCC(C)(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CENDAZXOYOYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-15(14(19)20)9-10-17(11-15)13(18)16(2,21-3)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,19,20).
What are the key properties of 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).