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

C15H27NO4 — CID 11958186

IUPAC(2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-2-3-4-5-6-7-8-9-14(17)20-12-10-13(15(18)19)16-11-12/h12-13,16H,2-11H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyRMQLZBYNLCBUDW-OLZOCXBDSA-N
MW285.38 g/mol
LogP2.49
Rot. Bonds10

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

(2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid (PubChem CID 11958186) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid
PubChem CID11958186
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-2-3-4-5-6-7-8-9-14(17)20-12-10-13(15(18)19)16-11-12/h12-13,16H,2-11H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyRMQLZBYNLCBUDW-OLZOCXBDSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Hydroxy-N-((S)-2-oxotetrahydrofuran-3-yl)dodecanamide
CID 10891902
(2S,4S)-4-butan-2-yloxypyrrolidine-2-carboxylic acid
CID 54582775
3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
CID 71353010
(4R)-4-(1,1-Dimethylethoxy)-L-proline
CID 7408289
(2S,4R)-4-methoxypyrrolidine-2-carboxylic acid
CID 12849451
(2S,4S)-4-methoxypyrrolidine-2-carboxylic acid
CID 12849452
L-Proline, 4-ethoxy-, trans-
CID 45115929
N-(3-hydroxy-octanoyl)-homoserine lactone
CID 66769741
(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide
CID 93120693
3-Hydroxy-N-(2-oxotetrahydrofuran-3-yl)octanamide
CID 11586792
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64713195
(2S,4R)-4-ethoxypyrrolidine-2-carboxylic acid hydrochloride
CID 117735645

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid (CID 11958186) is (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid is CCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid?
The InChIKey is RMQLZBYNLCBUDW-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27NO4/c1-2-3-4-5-6-7-8-9-14(17)20-12-10-13(15(18)19)16-11-12/h12-13,16H,2-11H2,1H3,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid?
(2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11958186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).