(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one

C12H23N3O2 — CID 119899591

IUPAC(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)CC1N1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-9-7-15(12(16)10(2)13)8-11(9)14-3-5-17-6-4-14/h9-11H,3-8,13H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyQVYFJXMDUBFLKN-HSOILSAZSA-N
MW241.33 g/mol
LogP-0.49
Rot. Bonds2

About (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one

(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 119899591) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
PubChem CID119899591
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)CC1N1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-9-7-15(12(16)10(2)13)8-11(9)14-3-5-17-6-4-14/h9-11H,3-8,13H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyQVYFJXMDUBFLKN-HSOILSAZSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one (CID 119899591) is (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one is CC1CN(C(=O)[C@@H](C)N)CC1N1CCOCC1.
What is the InChIKey of (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is QVYFJXMDUBFLKN-HSOILSAZSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-7-15(12(16)10(2)13)8-11(9)14-3-5-17-6-4-14/h9-11H,3-8,13H2,1-2H3/t9?,10-,11?/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one?
(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 241.33 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 119899591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).