4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one

C14H27N3O2 — CID 104958068

IUPAC4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
SMILESC[C@@H]1CN(C(CN)CC(=O)N2CCCC2)C[C@H](C)O1
InChIInChI=1S/C14H27N3O2/c1-11-9-17(10-12(2)19-11)13(8-15)7-14(18)16-5-3-4-6-16/h11-13H,3-10,15H2,1-2H3/t11-,12+,13?
InChIKeyAJLVLZUZJDHYRA-FUNVUKJBSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds4

About 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 104958068) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID104958068
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
SMILESC[C@@H]1CN(C(CN)CC(=O)N2CCCC2)C[C@H](C)O1
InChIInChI=1S/C14H27N3O2/c1-11-9-17(10-12(2)19-11)13(8-15)7-14(18)16-5-3-4-6-16/h11-13H,3-10,15H2,1-2H3/t11-,12+,13?
InChIKeyAJLVLZUZJDHYRA-FUNVUKJBSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one with MolForge

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Related Compounds

4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66431730
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
4-amino-3-(2,5-dimethylmorpholin-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66432542
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
CID 66430100
4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
CID 103156842
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one (CID 104958068) is 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one is C[C@@H]1CN(C(CN)CC(=O)N2CCCC2)C[C@H](C)O1.
What is the InChIKey of 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is AJLVLZUZJDHYRA-FUNVUKJBSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-9-17(10-12(2)19-11)13(8-15)7-14(18)16-5-3-4-6-16/h11-13H,3-10,15H2,1-2H3/t11-,12+,13?.
What are the key properties of 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 104958068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).