2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H25N3O3 — CID 106020939

IUPAC2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCN1CCCC1CNC(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-17-7-3-5-11(17)8-16-15(21)18-9-10-4-2-6-12(10)13(18)14(19)20/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyVIXUOZAIXTVJLM-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.98
Rot. Bonds3

About 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 106020939) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID106020939
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCN1CCCC1CNC(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-17-7-3-5-11(17)8-16-15(21)18-9-10-4-2-6-12(10)13(18)14(19)20/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyVIXUOZAIXTVJLM-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-2-ylmethylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890515
2-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889896
2-(2,2-difluoroethylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890586
2-[[3-(methylamino)-3-oxopropyl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890046
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889942
2-(3-propoxypropylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890650
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
2-[(3-ethoxy-3-oxopropyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890058
2-[2-(oxolan-2-yl)ethylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890034
2-(cyclopentylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889818
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 106020939) is 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CN1CCCC1CNC(=O)N1CC2CCCC2C1C(=O)O.
What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is VIXUOZAIXTVJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-17-7-3-5-11(17)8-16-15(21)18-9-10-4-2-6-12(10)13(18)14(19)20/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 106020939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).