(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium

C17H36N2O2 — CID 24866401

IUPAC(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.O=C([O-])[C@@H]1CCCN1
InChIInChI=1S/C12H28N.C5H9NO2/c1-5-9-13(10-6-2,11-7-3)12-8-4;7-5(8)4-2-1-3-6-4/h5-12H2,1-4H3;4,6H,1-3H2,(H,7,8)/q+1;/p-1/t;4-/m.0/s1
InChIKeyOWAAZPCZDYPEFJ-VWMHFEHESA-M
MW300.49 g/mol
LogP1.93
Rot. Bonds9

About (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium

(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium (PubChem CID 24866401) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium.

Molecular Properties

Compound Name(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium
PubChem CID24866401
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.O=C([O-])[C@@H]1CCCN1
InChIInChI=1S/C12H28N.C5H9NO2/c1-5-9-13(10-6-2,11-7-3)12-8-4;7-5(8)4-2-1-3-6-4/h5-12H2,1-4H3;4,6H,1-3H2,(H,7,8)/q+1;/p-1/t;4-/m.0/s1
InChIKeyOWAAZPCZDYPEFJ-VWMHFEHESA-M
XLogP1.93
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

potassium (2S)-pyrrolidine-2-carboxylate
CID 23681229
copper (2S)-pyrrolidine-2-carboxylate
CID 172711249
lithium (2S)-pyrrolidine-2-carboxylate
CID 23691818
dilithium bis((2S)-pyrrolidine-2-carboxylate)
CID 169095564
azanium (2S)-pyrrolidine-2-carboxylate
CID 141355095
tetrakis(2-hydroxyethyl(trimethyl)azanium);(2S)-pyrrolidine-2-carboxylate;phosphate
CID 176895346
sodium (2S)-piperidine-2-carboxylate
CID 23691892
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
1-methyl-3-octylimidazol-1-ium;(2S)-pyrrolidine-2-carboxylate
CID 141416876
(2S)-pyrrolidine-2-carboxylic acid;tetradecylphosphane
CID 175590422
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096

Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium?
The IUPAC name of (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium (CID 24866401) is (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium.
What is the SMILES notation for (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium?
The canonical SMILES for (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.O=C([O-])[C@@H]1CCCN1.
What is the InChIKey of (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium?
The InChIKey is OWAAZPCZDYPEFJ-VWMHFEHESA-M. The full InChI is InChI=1S/C12H28N.C5H9NO2/c1-5-9-13(10-6-2,11-7-3)12-8-4;7-5(8)4-2-1-3-6-4/h5-12H2,1-4H3;4,6H,1-3H2,(H,7,8)/q+1;/p-1/t;4-/m.0/s1.
What are the key properties of (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium?
(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium has a molecular weight of 300.49 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidine-2-carboxylate;tetrapropylazanium is sourced from PubChem (CID 24866401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).