1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 122133029

IUPAC1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCOCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(16-9-4-7-13(16)15(18)19)8-10-20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,19)
InChIKeyGHRJYSKPIRSWET-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.67
Rot. Bonds6

About 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid

1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 122133029) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID122133029
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCOCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(16-9-4-7-13(16)15(18)19)8-10-20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,19)
InChIKeyGHRJYSKPIRSWET-UHFFFAOYSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077
(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 78922340
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2S)-1-(4-benzylselanylbutanoyl)pyrrolidine-2-carboxylic acid
CID 22809670
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
CID 119176089
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
(2S)-1-[4-(1,3-diphenylpropan-2-ylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 97302032
1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 166316891

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid (CID 122133029) is 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCOCc1ccccc1.
What is the InChIKey of 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GHRJYSKPIRSWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(16-9-4-7-13(16)15(18)19)8-10-20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,19).
What are the key properties of 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid?
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122133029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).