[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone

C17H27N3O3 — CID 124689803

IUPAC[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(CN)o2)C[C@@H](C)O1
InChIInChI=1S/C17H27N3O3/c1-12-9-19(10-13(2)22-12)11-14-4-3-7-20(14)17(21)16-6-5-15(8-18)23-16/h5-6,12-14H,3-4,7-11,18H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyJWQWZSHQCDSQFP-MGPQQGTHSA-N
MW321.42 g/mol
LogP1.45
Rot. Bonds4

About [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone

[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 124689803) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID124689803
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(CN)o2)C[C@@H](C)O1
InChIInChI=1S/C17H27N3O3/c1-12-9-19(10-13(2)22-12)11-14-4-3-7-20(14)17(21)16-6-5-15(8-18)23-16/h5-6,12-14H,3-4,7-11,18H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyJWQWZSHQCDSQFP-MGPQQGTHSA-N
XLogP1.45
TPSA71.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
[5-(aminomethyl)furan-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686131
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 124694666
3-amino-1-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692187
3-amino-1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692182
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100855651
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378374
[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378375
(3,4-difluorophenyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 51094368
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100849937

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone (CID 124689803) is [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone is C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(CN)o2)C[C@@H](C)O1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is JWQWZSHQCDSQFP-MGPQQGTHSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-9-19(10-13(2)22-12)11-14-4-3-7-20(14)17(21)16-6-5-15(8-18)23-16/h5-6,12-14H,3-4,7-11,18H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone?
[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124689803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).