[4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate

C23H36N4O7 — CID 145150044

IUPAC[4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate
SMILESCC(C)NC(=O)C1COCCN1C(=O)C1CCCN1C(=O)CC(C)OC(=O)C1CCCN1C=O
InChIInChI=1S/C23H36N4O7/c1-15(2)24-21(30)19-13-33-11-10-27(19)22(31)17-6-5-9-26(17)20(29)12-16(3)34-23(32)18-7-4-8-25(18)14-28/h14-19H,4-13H2,1-3H3,(H,24,30)
InChIKeyWJPIQXJIHVOSAI-UHFFFAOYSA-N
MW480.56 g/mol
LogP-0.33
Rot. Bonds8

About [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate

[4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate (PubChem CID 145150044) has the molecular formula C23H36N4O7 and a molecular weight of 480.56 g/mol. Its IUPAC name is [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate
PubChem CID145150044
Molecular FormulaC23H36N4O7
Molecular Weight480.56 g/mol
Exact Mass480.26
IUPAC Name[4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate
SMILESCC(C)NC(=O)C1COCCN1C(=O)C1CCCN1C(=O)CC(C)OC(=O)C1CCCN1C=O
InChIInChI=1S/C23H36N4O7/c1-15(2)24-21(30)19-13-33-11-10-27(19)22(31)17-6-5-9-26(17)20(29)12-16(3)34-23(32)18-7-4-8-25(18)14-28/h14-19H,4-13H2,1-3H3,(H,24,30)
InChIKeyWJPIQXJIHVOSAI-UHFFFAOYSA-N
XLogP-0.33
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-oxo-4-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylazepane-2-carboxylate
CID 137382095
1,3-difluoro-5-methylbenzene;[4-oxo-4-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate;2-[[4-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 145149997
4-(2-piperidin-3-ylacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099192
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate
CID 137381959
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667

Frequently Asked Questions

What is the IUPAC name of [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate?
The IUPAC name of [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate (CID 145150044) is [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate.
What is the SMILES notation for [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate?
The canonical SMILES for [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate is CC(C)NC(=O)C1COCCN1C(=O)C1CCCN1C(=O)CC(C)OC(=O)C1CCCN1C=O.
What is the InChIKey of [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate?
The InChIKey is WJPIQXJIHVOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O7/c1-15(2)24-21(30)19-13-33-11-10-27(19)22(31)17-6-5-9-26(17)20(29)12-16(3)34-23(32)18-7-4-8-25(18)14-28/h14-19H,4-13H2,1-3H3,(H,24,30).
What are the key properties of [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate?
[4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate has a molecular weight of 480.56 g/mol, XLogP of -0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate is sourced from PubChem (CID 145150044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).