1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid

C15H20N2O3 — CID 63032265

IUPAC1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c18-14(19)13-8-10-17(11-13)15(20)16-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
InChIKeyFFAZZNSQGXUYTN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds5

About 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63032265) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63032265
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c18-14(19)13-8-10-17(11-13)15(20)16-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
InChIKeyFFAZZNSQGXUYTN-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-[4-(4-nitrophenyl)butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122003141
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
1-(3-phenylpropylamino)azetidine-3-carboxylic acid
CID 142773775
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
1-[2-(2-phenylethylsulfanyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63031975
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63032265) is 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NCCCc2ccccc2)C1.
What is the InChIKey of 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FFAZZNSQGXUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)13-8-10-17(11-13)15(20)16-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19).
What are the key properties of 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).