2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid

C15H24N2O3 — CID 102893202

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)C1NCC2CCCC21
InChIInChI=1S/C15H24N2O3/c18-14(13-10-6-3-4-9(10)8-16-13)17-12-7-2-1-5-11(12)15(19)20/h9-13,16H,1-8H2,(H,17,18)(H,19,20)
InChIKeyYCBLDOKVOJKGES-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.13
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 102893202) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID102893202
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)C1NCC2CCCC21
InChIInChI=1S/C15H24N2O3/c18-14(13-10-6-3-4-9(10)8-16-13)17-12-7-2-1-5-11(12)15(19)20/h9-13,16H,1-8H2,(H,17,18)(H,19,20)
InChIKeyYCBLDOKVOJKGES-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 102893202) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NC(=O)C1NCC2CCCC21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is YCBLDOKVOJKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(13-10-6-3-4-9(10)8-16-13)17-12-7-2-1-5-11(12)15(19)20/h9-13,16H,1-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102893202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).