methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate

C10H18N2O2 — CID 60915542

IUPACmethyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate
SMILESCOC(=O)C(C)N1CC2CNCC2C1
InChIInChI=1S/C10H18N2O2/c1-7(10(13)14-2)12-5-8-3-11-4-9(8)6-12/h7-9,11H,3-6H2,1-2H3
InChIKeySAJOHSZEXGMWGN-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.30
Rot. Bonds2

About methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate

methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate (PubChem CID 60915542) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate
PubChem CID60915542
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate
SMILESCOC(=O)C(C)N1CC2CNCC2C1
InChIInChI=1S/C10H18N2O2/c1-7(10(13)14-2)12-5-8-3-11-4-9(8)6-12/h7-9,11H,3-6H2,1-2H3
InChIKeySAJOHSZEXGMWGN-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate with MolForge

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Related Compounds

methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66196191
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
CID 60917515
4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 154945106
methyl 2-(3-azabicyclo[3.3.1]nonan-3-yl)propanoate
CID 130479743
methyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 134346989
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetate
CID 60915647
methyl 3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanoate
CID 66208454

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate?
The IUPAC name of methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate (CID 60915542) is methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate.
What is the SMILES notation for methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate?
The canonical SMILES for methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate is COC(=O)C(C)N1CC2CNCC2C1.
What is the InChIKey of methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate?
The InChIKey is SAJOHSZEXGMWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(10(13)14-2)12-5-8-3-11-4-9(8)6-12/h7-9,11H,3-6H2,1-2H3.
What are the key properties of methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate?
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate has a molecular weight of 198.27 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate is sourced from PubChem (CID 60915542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).