4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid

C18H25NO4 — CID 120534377

IUPAC4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)C(C)CCCc2ccccc2)C1
InChIInChI=1S/C18H25NO4/c1-13(7-6-10-14-8-4-3-5-9-14)17(20)19-12-15(23-2)11-16(19)18(21)22/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,21,22)
InChIKeyOEJJZNVKPQHJHE-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.35
Rot. Bonds7

About 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 120534377) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID120534377
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)C(C)CCCc2ccccc2)C1
InChIInChI=1S/C18H25NO4/c1-13(7-6-10-14-8-4-3-5-9-14)17(20)19-12-15(23-2)11-16(19)18(21)22/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,21,22)
InChIKeyOEJJZNVKPQHJHE-UHFFFAOYSA-N
XLogP2.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822703
(2S,4S)-4-methoxy-1-[(2S)-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70066747
6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122112872
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
4-methoxy-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 62364996
4-methoxy-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 24694883
1-[2-(2-iodophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 120534457
1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
CID 120512247
4-methoxy-1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115923907
1-(2-aminohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61159250
4-methoxy-1-(3-phenylprop-2-ynoyl)pyrrolidine-2-carboxylic acid
CID 24708728

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid (CID 120534377) is 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)C(C)CCCc2ccccc2)C1.
What is the InChIKey of 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OEJJZNVKPQHJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(7-6-10-14-8-4-3-5-9-14)17(20)19-12-15(23-2)11-16(19)18(21)22/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,21,22).
What are the key properties of 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120534377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).