4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid

C15H19NO4 — CID 63721709

IUPAC4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CCOc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-11-9-16(10-13(11)15(18)19)14(17)7-8-20-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19)
InChIKeyKZTBWYNQNURROU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.63
Rot. Bonds5

About 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63721709) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID63721709
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CCOc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-11-9-16(10-13(11)15(18)19)14(17)7-8-20-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19)
InChIKeyKZTBWYNQNURROU-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[3-(3-methylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63720461
(3S,4S)-4-methyl-1-[3-(4-propan-2-ylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 122112452
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
(3S,4S)-4-methyl-1-[3-(2-nitrophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 122112487
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703
(3S,4S)-4-methyl-1-(3-propan-2-yloxypropanoyl)pyrrolidine-3-carboxylic acid
CID 120953277
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-phenoxypropan-1-one
CID 70753353
(3S,4S)-1-[3-(4-methoxyphenyl)sulfanylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953045
1-[2-(2-hydroxyphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 80741465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid (CID 63721709) is 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)CCOc2ccccc2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KZTBWYNQNURROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-9-16(10-13(11)15(18)19)14(17)7-8-20-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).