(2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid

C19H37NO3 — CID 56618305

IUPAC(2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCC(O)CN1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-13-17(21)16-20-15-12-14-18(20)19(22)23/h17-18,21H,2-16H2,1H3,(H,22,23)/t17?,18-/m1/s1
InChIKeyCNNDOJIJOAEHMF-QRWMCTBCSA-N
MW327.51 g/mol
LogP4.21
Rot. Bonds14

About (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid (PubChem CID 56618305) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid
PubChem CID56618305
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name(2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCC(O)CN1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-13-17(21)16-20-15-12-14-18(20)19(22)23/h17-18,21H,2-16H2,1H3,(H,22,23)/t17?,18-/m1/s1
InChIKeyCNNDOJIJOAEHMF-QRWMCTBCSA-N
XLogP4.21
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid (CID 56618305) is (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid is CCCCCCCCCCCCC(O)CN1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CNNDOJIJOAEHMF-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-13-17(21)16-20-15-12-14-18(20)19(22)23/h17-18,21H,2-16H2,1H3,(H,22,23)/t17?,18-/m1/s1.
What are the key properties of (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid has a molecular weight of 327.51 g/mol, XLogP of 4.21, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 56618305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).