(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole

C15H28N2O2 — CID 15472640

IUPAC(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14-13(19-5)8-10-17(14)16-9-6-7-12(16)11-18-4/h8,12,14H,6-7,9-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyGKLKAYCZRZGQOU-GXTWGEPZSA-N
MW268.40 g/mol
LogP2.27
Rot. Bonds4

About (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole

(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole (PubChem CID 15472640) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
PubChem CID15472640
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14-13(19-5)8-10-17(14)16-9-6-7-12(16)11-18-4/h8,12,14H,6-7,9-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyGKLKAYCZRZGQOU-GXTWGEPZSA-N
XLogP2.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole 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

(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
CID 102375984
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole
CID 102375985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The IUPAC name of (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole (CID 15472640) is (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The canonical SMILES for (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole is COC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
The InChIKey is GKLKAYCZRZGQOU-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)14-13(19-5)8-10-17(14)16-9-6-7-12(16)11-18-4/h8,12,14H,6-7,9-11H2,1-5H3/t12-,14+/m0/s1.
What are the key properties of (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole?
(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole has a molecular weight of 268.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole is sourced from PubChem (CID 15472640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).