3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine

C18H26N2O2 — CID 131640472

IUPAC3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine
SMILESc1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2C2CCOC2)c1
InChIInChI=1S/C18H26N2O2/c1-2-15(11-19-7-1)10-17-18(22-12-14-3-4-14)5-8-20(17)16-6-9-21-13-16/h1-2,7,11,14,16-18H,3-6,8-10,12-13H2/t16?,17-,18-/m0/s1
InChIKeyRUSYQJTWRATFLC-FQECFTEESA-N
MW302.42 g/mol
LogP2.28
Rot. Bonds6

About 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine

3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine (PubChem CID 131640472) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine
PubChem CID131640472
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine
SMILESc1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2C2CCOC2)c1
InChIInChI=1S/C18H26N2O2/c1-2-15(11-19-7-1)10-17-18(22-12-14-3-4-14)5-8-20(17)16-6-9-21-13-16/h1-2,7,11,14,16-18H,3-6,8-10,12-13H2/t16?,17-,18-/m0/s1
InChIKeyRUSYQJTWRATFLC-FQECFTEESA-N
XLogP2.28
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S,3S)-1-(oxan-4-yl)-3-prop-2-enoxypyrrolidin-2-yl]methyl]pyridine
CID 97470609
3-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]pyridine
CID 97384213
3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 124779864
(2S,3R)-N,N-dimethyl-1-(oxan-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97470922
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
3-[[(2S,3S)-3-(2-methoxyethoxy)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridine
CID 97470591
(2S,3S)-N-cyclopropyl-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470631
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-1-(oxan-4-ylmethyl)pyrrolidine
CID 97384216
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97470540
(4aR,7R,7aR)-4-(oxan-4-yl)-7-(pyridin-3-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124788724
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124793902

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine (CID 131640472) is 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine is c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2C2CCOC2)c1.
What is the InChIKey of 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine?
The InChIKey is RUSYQJTWRATFLC-FQECFTEESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-15(11-19-7-1)10-17-18(22-12-14-3-4-14)5-8-20(17)16-6-9-21-13-16/h1-2,7,11,14,16-18H,3-6,8-10,12-13H2/t16?,17-,18-/m0/s1.
What are the key properties of 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine?
3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine has a molecular weight of 302.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 131640472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).