4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid

C9H12N2O2 — CID 83906432

IUPAC4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid
SMILESCn1cc2c(c1)C(N)(C(=O)O)CC2
InChIInChI=1S/C9H12N2O2/c1-11-4-6-2-3-9(10,8(12)13)7(6)5-11/h4-5H,2-3,10H2,1H3,(H,12,13)
InChIKeyWQUQRWPUDMTOON-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.21
Rot. Bonds1

About 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid

4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid (PubChem CID 83906432) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid
PubChem CID83906432
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid
SMILESCn1cc2c(c1)C(N)(C(=O)O)CC2
InChIInChI=1S/C9H12N2O2/c1-11-4-6-2-3-9(10,8(12)13)7(6)5-11/h4-5H,2-3,10H2,1H3,(H,12,13)
InChIKeyWQUQRWPUDMTOON-UHFFFAOYSA-N
XLogP0.21
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid?
The IUPAC name of 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid (CID 83906432) is 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid.
What is the SMILES notation for 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid?
The canonical SMILES for 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid is Cn1cc2c(c1)C(N)(C(=O)O)CC2.
What is the InChIKey of 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid?
The InChIKey is WQUQRWPUDMTOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-4-6-2-3-9(10,8(12)13)7(6)5-11/h4-5H,2-3,10H2,1H3,(H,12,13).
What are the key properties of 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid?
4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrole-4-carboxylic acid is sourced from PubChem (CID 83906432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).