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

C14H26N2O2 — CID 102375985

IUPAC(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1C(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)14-13(18-4)7-9-16(14)15-8-5-6-12(15)10-17-3/h7,11-12,14H,5-6,8-10H2,1-4H3/t12-,14-/m0/s1
InChIKeyNVPKNJJEAXQOTQ-JSGCOSHPSA-N
MW254.37 g/mol
LogP1.88
Rot. Bonds5

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

(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole (PubChem CID 102375985) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole
PubChem CID102375985
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1C(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)14-13(18-4)7-9-16(14)15-8-5-6-12(15)10-17-3/h7,11-12,14H,5-6,8-10H2,1-4H3/t12-,14-/m0/s1
InChIKeyNVPKNJJEAXQOTQ-JSGCOSHPSA-N
XLogP1.88
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
CID 102375984
(2S)-2-tert-butyl-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dihydropyrrole
CID 15472640
(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
CID 101237424

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole?
The IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole (CID 102375985) is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole?
The canonical SMILES for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole is COC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1C(C)C.
What is the InChIKey of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole?
The InChIKey is NVPKNJJEAXQOTQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)14-13(18-4)7-9-16(14)15-8-5-6-12(15)10-17-3/h7,11-12,14H,5-6,8-10H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole?
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole has a molecular weight of 254.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 102375985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).