(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide

C15H25N3O4 — CID 125022537

IUPAC(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@@](C)(C(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C15H25N3O4/c1-12(19)18-9-10-22-15(2,11-18)14(21)16-6-4-8-17-7-3-5-13(17)20/h3-11H2,1-2H3,(H,16,21)/t15-/m1/s1
InChIKeyYRFIBTVVNRUGOJ-OAHLLOKOSA-N
MW311.38 g/mol
LogP-0.25
Rot. Bonds5

About (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide

(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide (PubChem CID 125022537) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide
PubChem CID125022537
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@@](C)(C(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C15H25N3O4/c1-12(19)18-9-10-22-15(2,11-18)14(21)16-6-4-8-17-7-3-5-13(17)20/h3-11H2,1-2H3,(H,16,21)/t15-/m1/s1
InChIKeyYRFIBTVVNRUGOJ-OAHLLOKOSA-N
XLogP-0.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264
(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
CID 125012356
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
1-(oxan-4-ylidenemethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108913052
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
(E)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 98444091
(Z)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pent-2-enamide
CID 47025991
2-ethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]azepane-2-carboxamide
CID 91908924
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide (CID 125022537) is (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide is CC(=O)N1CCO[C@@](C)(C(=O)NCCCN2CCCC2=O)C1.
What is the InChIKey of (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide?
The InChIKey is YRFIBTVVNRUGOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-12(19)18-9-10-22-15(2,11-18)14(21)16-6-4-8-17-7-3-5-13(17)20/h3-11H2,1-2H3,(H,16,21)/t15-/m1/s1.
What are the key properties of (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide?
(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 125022537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).