6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid

C11H15ClN2O2 — CID 83912752

IUPAC6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid
SMILESCC(C)n1cc2c(c1Cl)CCC2(N)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-6(2)14-5-8-7(9(14)12)3-4-11(8,13)10(15)16/h5-6H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyCUDSRYLWHMQOEJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.91
Rot. Bonds2

About 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid

6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid (PubChem CID 83912752) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid
PubChem CID83912752
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid
SMILESCC(C)n1cc2c(c1Cl)CCC2(N)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-6(2)14-5-8-7(9(14)12)3-4-11(8,13)10(15)16/h5-6H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyCUDSRYLWHMQOEJ-UHFFFAOYSA-N
XLogP1.91
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
The IUPAC name of 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid (CID 83912752) is 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid.
What is the SMILES notation for 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
The canonical SMILES for 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid is CC(C)n1cc2c(c1Cl)CCC2(N)C(=O)O.
What is the InChIKey of 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
The InChIKey is CUDSRYLWHMQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-6(2)14-5-8-7(9(14)12)3-4-11(8,13)10(15)16/h5-6H,3-4,13H2,1-2H3,(H,15,16).
What are the key properties of 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid?
6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid has a molecular weight of 242.71 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrole-6-carboxylic acid is sourced from PubChem (CID 83912752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).