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

C17H31NO4 — CID 101409476

IUPAC(2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(19)22-14-12-15(17(20)21)18-13-14/h14-15,18H,2-13H2,1H3,(H,20,21)/t14-,15+/m1/s1
InChIKeySYARJNKODYNZRR-CABCVRRESA-N
MW313.44 g/mol
LogP3.27
Rot. Bonds12

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

(2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid (PubChem CID 101409476) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid
PubChem CID101409476
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Name(2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(19)22-14-12-15(17(20)21)18-13-14/h14-15,18H,2-13H2,1H3,(H,20,21)/t14-,15+/m1/s1
InChIKeySYARJNKODYNZRR-CABCVRRESA-N
XLogP3.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.27
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-dodecanoyloxypyrrolidine-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]tetradecanamide
CID 10903547
3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
CID 71353010
(4R)-4-(1,1-Dimethylethoxy)-L-proline
CID 7408289
N-(3-Hydroxytetradecanoyl)-DL-homoserine lactone
CID 11681427
L-Proline, 4-ethoxy-, trans-
CID 45115929
N-(3-hydroxy-eicosanoyl)-homoserine lactone
CID 138454226
(2S,4R)-4-hexadecanoyloxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid chloride
CID 44382080
N-(3-hydroxy-octadecanoyl)-homoserine lactone
CID 138454227
(3S)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
CID 98092409
Fusariumin B
CID 146684439

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid (CID 101409476) is (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid is CCCCCCCCCCCC(=O)O[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid?
The InChIKey is SYARJNKODYNZRR-CABCVRRESA-N. The full InChI is InChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16(19)22-14-12-15(17(20)21)18-13-14/h14-15,18H,2-13H2,1H3,(H,20,21)/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid?
(2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid has a molecular weight of 313.44 g/mol, XLogP of 3.27, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 101409476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).