(2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid

C19H35NO3 — CID 15384560

IUPAC(2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=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)/t17-/m0/s1
InChIKeyOFWGTRJQCVYFBE-KRWDZBQOSA-N
MW325.49 g/mol
LogP4.76
Rot. Bonds13

About (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid

(2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid (PubChem CID 15384560) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid
PubChem CID15384560
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name(2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=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)/t17-/m0/s1
InChIKeyOFWGTRJQCVYFBE-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid (CID 15384560) is (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid is CCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid?
The InChIKey is OFWGTRJQCVYFBE-KRWDZBQOSA-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)/t17-/m0/s1.
What are the key properties of (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid?
(2S)-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 (2S)-1-tetradecanoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15384560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).