(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one

C14H27N3O2 — CID 103929897

IUPAC(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)12(15)13(18)17-5-4-11(10-17)16-6-8-19-9-7-16/h11-12H,4-10,15H2,1-3H3/t11?,12-/m0/s1
InChIKeyRXLAQOFWPXNGQL-KIYNQFGBSA-N
MW269.39 g/mol
LogP0.29
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one

(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 103929897) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
PubChem CID103929897
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)12(15)13(18)17-5-4-11(10-17)16-6-8-19-9-7-16/h11-12H,4-10,15H2,1-3H3/t11?,12-/m0/s1
InChIKeyRXLAQOFWPXNGQL-KIYNQFGBSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
CID 63516487
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
2-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 130620193
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103532865
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
2-(ethylamino)-2-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 63171741
(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
CID 135200089

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one (CID 103929897) is (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one is CC(C)(C)[C@@H](N)C(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is RXLAQOFWPXNGQL-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)12(15)13(18)17-5-4-11(10-17)16-6-8-19-9-7-16/h11-12H,4-10,15H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one?
(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 103929897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).