(2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid

C19H35NO4 — CID 101409478

IUPAC(2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)24-16-14-17(19(22)23)20-15-16/h16-17,20H,2-15H2,1H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyYDBRZZUVKBZHHL-SJORKVTESA-N
MW341.49 g/mol
LogP4.05
Rot. Bonds14

About (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid

(2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid (PubChem CID 101409478) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid
PubChem CID101409478
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name(2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)24-16-14-17(19(22)23)20-15-16/h16-17,20H,2-15H2,1H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyYDBRZZUVKBZHHL-SJORKVTESA-N
XLogP4.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid (CID 101409478) is (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid is CCCCCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid?
The InChIKey is YDBRZZUVKBZHHL-SJORKVTESA-N. The full InChI is InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)24-16-14-17(19(22)23)20-15-16/h16-17,20H,2-15H2,1H3,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid?
(2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid has a molecular weight of 341.49 g/mol, XLogP of 4.05, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 101409478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).