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

C11H19NO3 — CID 10751088

IUPAC(2S)-1-hexanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-7-10(13)12-8-5-6-9(12)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyRTJVMTQLPNDWLB-VIFPVBQESA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds5

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

(2S)-1-hexanoylpyrrolidine-2-carboxylic acid (PubChem CID 10751088) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-1-hexanoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-hexanoylpyrrolidine-2-carboxylic acid
PubChem CID10751088
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-1-hexanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-7-10(13)12-8-5-6-9(12)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyRTJVMTQLPNDWLB-VIFPVBQESA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-hexanoylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-hexanoylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-hexanoylpyrrolidine-2-carboxylic acid (CID 10751088) is (2S)-1-hexanoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-hexanoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-hexanoylpyrrolidine-2-carboxylic acid is CCCCCC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-hexanoylpyrrolidine-2-carboxylic acid?
The InChIKey is RTJVMTQLPNDWLB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-7-10(13)12-8-5-6-9(12)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-1-hexanoylpyrrolidine-2-carboxylic acid?
(2S)-1-hexanoylpyrrolidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-hexanoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10751088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).