1-tetradecanoylpyrrolidine-2-carboxylic acid

C19H35NO3 — CID 10245787

IUPAC1-tetradecanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23/h17H,2-16H2,1H3,(H,22,23)
InChIKeyOFWGTRJQCVYFBE-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.76
Rot. Bonds13

About 1-tetradecanoylpyrrolidine-2-carboxylic acid

1-tetradecanoylpyrrolidine-2-carboxylic acid (PubChem CID 10245787) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is 1-tetradecanoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-tetradecanoylpyrrolidine-2-carboxylic acid
PubChem CID10245787
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name1-tetradecanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23/h17H,2-16H2,1H3,(H,22,23)
InChIKeyOFWGTRJQCVYFBE-UHFFFAOYSA-N
XLogP4.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyl-L-proline
CID 66141
Cphpc
CID 125516
N-acetyl-D-proline
CID 719436
Lauroyl Proline
CID 10108670
Sodium Palmitoyl Proline
CID 45789919
DL-Acetylproline
CID 322640
Tumonoic Acid D
CID 25111481
Palmitoyl Proline
CID 15384561
1-(2,2-Dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 2740698
1-Butanoylpyrrolidine-2-carboxylic acid
CID 90941
1-Propionylpyrrolidine-2-carboxylic acid
CID 3614637
Potassium Behenoyl Hydroxyproline
CID 71587936

Frequently Asked Questions

What is the IUPAC name of 1-tetradecanoylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-tetradecanoylpyrrolidine-2-carboxylic acid (CID 10245787) is 1-tetradecanoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-tetradecanoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-tetradecanoylpyrrolidine-2-carboxylic acid is CCCCCCCCCCCCCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-tetradecanoylpyrrolidine-2-carboxylic acid?
The InChIKey is OFWGTRJQCVYFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)20-16-13-14-17(20)19(22)23/h17H,2-16H2,1H3,(H,22,23).
What are the key properties of 1-tetradecanoylpyrrolidine-2-carboxylic acid?
1-tetradecanoylpyrrolidine-2-carboxylic acid has a molecular weight of 325.49 g/mol, XLogP of 4.76, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecanoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10245787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).