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

C15H26N2O3 — CID 102889994

IUPAC2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCCC(NC(=O)N1CC2CCCC2C1C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-4-12(9(2)3)16-15(20)17-8-10-6-5-7-11(10)13(17)14(18)19/h9-13H,4-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZNANHCFYUWMVMO-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds4

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

2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102889994) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102889994
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCCC(NC(=O)N1CC2CCCC2C1C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-4-12(9(2)3)16-15(20)17-8-10-6-5-7-11(10)13(17)14(18)19/h9-13H,4-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyZNANHCFYUWMVMO-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102889994) is 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CCC(NC(=O)N1CC2CCCC2C1C(=O)O)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is ZNANHCFYUWMVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-12(9(2)3)16-15(20)17-8-10-6-5-7-11(10)13(17)14(18)19/h9-13H,4-8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102889994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).