[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C11H21N3O2 — CID 58006996

IUPAC[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCN(C)[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C11H21N3O2/c1-13(2)9-7-10(12-8-9)11(15)14-3-5-16-6-4-14/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyLZCAWADTXTXKBF-UWVGGRQHSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds2

About [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 58006996) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID58006996
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCN(C)[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C11H21N3O2/c1-13(2)9-7-10(12-8-9)11(15)14-3-5-16-6-4-14/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyLZCAWADTXTXKBF-UWVGGRQHSA-N
XLogP-0.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 58006996) is [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone is CN(C)[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is LZCAWADTXTXKBF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13(2)9-7-10(12-8-9)11(15)14-3-5-16-6-4-14/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 227.31 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58006996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).