(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione

C10H17N3O3 — CID 39220953

IUPAC(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
SMILESN[C@H]1CC(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C10H17N3O3/c11-8-7-9(14)13(10(8)15)2-1-12-3-5-16-6-4-12/h8H,1-7,11H2/t8-/m0/s1
InChIKeyXQDMZPSAWICAEE-QMMMGPOBSA-N
MW227.26 g/mol
LogP-1.60
Rot. Bonds3

About (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione

(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione (PubChem CID 39220953) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
PubChem CID39220953
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
SMILESN[C@H]1CC(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C10H17N3O3/c11-8-7-9(14)13(10(8)15)2-1-12-3-5-16-6-4-12/h8H,1-7,11H2/t8-/m0/s1
InChIKeyXQDMZPSAWICAEE-QMMMGPOBSA-N
XLogP-1.60
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
CID 110457840
3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione
CID 107913499
(3aR,6aS)-5-(2-morpholin-4-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 46201661
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
(1R,2S,6S,7S)-4-(2-morpholin-4-ylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6559550
(3aR,4S,7S,7aR)-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98542176
(3aS,7aR)-5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 712391
3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254791
3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254864
(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
CID 92856701
1-[2-(1,3-oxazolidin-3-yl)ethyl]-3-[(E)-2,4,4,6,6-pentamethylhept-2-enyl]pyrrolidine-2,5-dione
CID 171718752
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione (CID 39220953) is (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione is N[C@H]1CC(=O)N(CCN2CCOCC2)C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is XQDMZPSAWICAEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-8-7-9(14)13(10(8)15)2-1-12-3-5-16-6-4-12/h8H,1-7,11H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 227.26 g/mol, XLogP of -1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 39220953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).