1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid

C10H13NO6 — CID 15223365

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)C2C(C(=O)O)NCC12
InChIInChI=1S/C10H13NO6/c12-8(13)3-1-4(9(14)15)6-5(3)2-11-7(6)10(16)17/h3-7,11H,1-2H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyUEHPDUJWEYSHQT-UHFFFAOYSA-N
MW243.21 g/mol
LogP-0.92
Rot. Bonds3

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid (PubChem CID 15223365) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid
PubChem CID15223365
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)C2C(C(=O)O)NCC12
InChIInChI=1S/C10H13NO6/c12-8(13)3-1-4(9(14)15)6-5(3)2-11-7(6)10(16)17/h3-7,11H,1-2H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyUEHPDUJWEYSHQT-UHFFFAOYSA-N
XLogP-0.92
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid (CID 15223365) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid is O=C(O)C1CC(C(=O)O)C2C(C(=O)O)NCC12.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid?
The InChIKey is UEHPDUJWEYSHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c12-8(13)3-1-4(9(14)15)6-5(3)2-11-7(6)10(16)17/h3-7,11H,1-2H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid has a molecular weight of 243.21 g/mol, XLogP of -0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,4,6-tricarboxylic acid is sourced from PubChem (CID 15223365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).