1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid

C22H37N3O6 — CID 154919267

IUPAC1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid
SMILESO=C(CCN1CCOCC1)N1CC2CN(C(=O)CC3CCCC3)CC2(CO)C1.O=CO
InChIInChI=1S/C21H35N3O4.CH2O2/c25-16-21-14-23(19(26)5-6-22-7-9-28-10-8-22)12-18(21)13-24(15-21)20(27)11-17-3-1-2-4-17;2-1-3/h17-18,25H,1-16H2;1H,(H,2,3)
InChIKeyNVMTUQLZSISYCO-UHFFFAOYSA-N
MW439.55 g/mol
LogP0.27
Rot. Bonds6

About 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid

1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid (PubChem CID 154919267) has the molecular formula C22H37N3O6 and a molecular weight of 439.55 g/mol. Its IUPAC name is 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid.

Molecular Properties

Compound Name1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid
PubChem CID154919267
Molecular FormulaC22H37N3O6
Molecular Weight439.55 g/mol
Exact Mass439.27
IUPAC Name1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid
SMILESO=C(CCN1CCOCC1)N1CC2CN(C(=O)CC3CCCC3)CC2(CO)C1.O=CO
InChIInChI=1S/C21H35N3O4.CH2O2/c25-16-21-14-23(19(26)5-6-22-7-9-28-10-8-22)12-18(21)13-24(15-21)20(27)11-17-3-1-2-4-17;2-1-3/h17-18,25H,1-16H2;1H,(H,2,3)
InChIKeyNVMTUQLZSISYCO-UHFFFAOYSA-N
XLogP0.27
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid 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

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110611726
2-cyclopentyl-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007806
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 175657546
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
3-[7a-(hydroxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]-3-oxopropanenitrile
CID 121204294
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
(3aS,6aR)-2-(4-morpholin-4-yl-4-oxobutanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683469
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-[(3aR,7aR)-7a-(hydroxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]-2-aminoethanone
CID 129497799
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 97205647

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid?
The IUPAC name of 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid (CID 154919267) is 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid.
What is the SMILES notation for 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid?
The canonical SMILES for 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid is O=C(CCN1CCOCC1)N1CC2CN(C(=O)CC3CCCC3)CC2(CO)C1.O=CO.
What is the InChIKey of 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid?
The InChIKey is NVMTUQLZSISYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4.CH2O2/c25-16-21-14-23(19(26)5-6-22-7-9-28-10-8-22)12-18(21)13-24(15-21)20(27)11-17-3-1-2-4-17;2-1-3/h17-18,25H,1-16H2;1H,(H,2,3).
What are the key properties of 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid?
1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid has a molecular weight of 439.55 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopentylacetyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-3-morpholin-4-ylpropan-1-one;formic acid is sourced from PubChem (CID 154919267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).