[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C14H26N2O4 — CID 120935890

IUPAC[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCOCCOCC1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C14H26N2O4/c1-11-13(15-4-6-20-11)14(17)16-5-3-12(9-16)10-19-8-7-18-2/h11-13,15H,3-10H2,1-2H3/t11-,12?,13+/m1/s1
InChIKeyPZKCLNRGBMDVSW-YPHAAILGSA-N
MW286.37 g/mol
LogP-0.13
Rot. Bonds6

About [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120935890) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120935890
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCOCCOCC1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C14H26N2O4/c1-11-13(15-4-6-20-11)14(17)16-5-3-12(9-16)10-19-8-7-18-2/h11-13,15H,3-10H2,1-2H3/t11-,12?,13+/m1/s1
InChIKeyPZKCLNRGBMDVSW-YPHAAILGSA-N
XLogP-0.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415
[4-(cyclopropylmethoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120935599
2-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]acetamide
CID 120924842
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120939291
3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120935890) is [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is COCCOCC1CCN(C(=O)[C@H]2NCCO[C@@H]2C)C1.
What is the InChIKey of [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is PZKCLNRGBMDVSW-YPHAAILGSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11-13(15-4-6-20-11)14(17)16-5-3-12(9-16)10-19-8-7-18-2/h11-13,15H,3-10H2,1-2H3/t11-,12?,13+/m1/s1.
What are the key properties of [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 286.37 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120935890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).