2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone

C17H30N2O4 — CID 97461200

IUPAC2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCOCCN1CC[C@@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@@H]21
InChIInChI=1S/C17H30N2O4/c1-21-11-10-18-9-6-16-15(18)5-4-14(23-16)12-22-13-17(20)19-7-2-3-8-19/h14-16H,2-13H2,1H3/t14-,15+,16+/m1/s1
InChIKeyAAANHZDVWLOOQL-PMPSAXMXSA-N
MW326.44 g/mol
LogP0.89
Rot. Bonds7

About 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone

2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 97461200) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID97461200
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESCOCCN1CC[C@@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@@H]21
InChIInChI=1S/C17H30N2O4/c1-21-11-10-18-9-6-16-15(18)5-4-14(23-16)12-22-13-17(20)19-7-2-3-8-19/h14-16H,2-13H2,1H3/t14-,15+,16+/m1/s1
InChIKeyAAANHZDVWLOOQL-PMPSAXMXSA-N
XLogP0.89
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[[(3aS,5R,7aS)-1-acetyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97461204
2-[[(3aS,5R,7aS)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97461203
2-[[(3aR,5R,7aR)-1-(cyclopropylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97379145
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
2-[[(3aR,5R,7aR)-1-(oxan-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97379146
2-[1-(2-methoxyethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-1-piperidin-1-ylethanone
CID 78087862
(3aR,5R,7aR)-1-(cyclopropylmethyl)-5-(prop-2-enoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379132
(3aR,5R,7aR)-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97387916
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethoxy]acetic acid
CID 61327126
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 97461200) is 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone is COCCN1CC[C@@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@@H]21.
What is the InChIKey of 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is AAANHZDVWLOOQL-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-21-11-10-18-9-6-16-15(18)5-4-14(23-16)12-22-13-17(20)19-7-2-3-8-19/h14-16H,2-13H2,1H3/t14-,15+,16+/m1/s1.
What are the key properties of 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 326.44 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aS,5R,7aS)-1-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97461200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).