(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one

C16H21N3O3 — CID 119411274

IUPAC(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
SMILESN[C@@H]1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c17-13-6-7-18(9-13)16(21)14-10-22-11-15(20)19(14)8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2/t13-,14-/m1/s1
InChIKeyZISAOWGDVBSZQL-ZIAGYGMSSA-N
MW303.36 g/mol
LogP-0.03
Rot. Bonds3

About (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one

(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one (PubChem CID 119411274) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one.

Molecular Properties

Compound Name(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
PubChem CID119411274
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
SMILESN[C@@H]1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c17-13-6-7-18(9-13)16(21)14-10-22-11-15(20)19(14)8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2/t13-,14-/m1/s1
InChIKeyZISAOWGDVBSZQL-ZIAGYGMSSA-N
XLogP-0.03
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one
CID 136581023
4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 56766002
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(5S)-5-amino-4-benzylmorpholin-3-one
CID 68600910
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
CID 56766000
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one?
The IUPAC name of (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one (CID 119411274) is (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one.
What is the SMILES notation for (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one?
The canonical SMILES for (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one is N[C@@H]1CCN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1.
What is the InChIKey of (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one?
The InChIKey is ZISAOWGDVBSZQL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-13-6-7-18(9-13)16(21)14-10-22-11-15(20)19(14)8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2/t13-,14-/m1/s1.
What are the key properties of (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one?
(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one has a molecular weight of 303.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one is sourced from PubChem (CID 119411274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).