(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

C9H15FN2O2 — CID 67605956

IUPAC(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESNCC1(F)C[C@H]2CN(C(=O)O)C[C@H]2C1
InChIInChI=1S/C9H15FN2O2/c10-9(5-11)1-6-3-12(8(13)14)4-7(6)2-9/h6-7H,1-5,11H2,(H,13,14)/t6-,7+,9?
InChIKeySVMZTMVQRNOQCM-AVSFMBPQSA-N
MW202.23 g/mol
LogP0.67
Rot. Bonds1

About (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 67605956) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID67605956
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESNCC1(F)C[C@H]2CN(C(=O)O)C[C@H]2C1
InChIInChI=1S/C9H15FN2O2/c10-9(5-11)1-6-3-12(8(13)14)4-7(6)2-9/h6-7H,1-5,11H2,(H,13,14)/t6-,7+,9?
InChIKeySVMZTMVQRNOQCM-AVSFMBPQSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (CID 67605956) is (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is NCC1(F)C[C@H]2CN(C(=O)O)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is SVMZTMVQRNOQCM-AVSFMBPQSA-N. The full InChI is InChI=1S/C9H15FN2O2/c10-9(5-11)1-6-3-12(8(13)14)4-7(6)2-9/h6-7H,1-5,11H2,(H,13,14)/t6-,7+,9?.
What are the key properties of (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 202.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 67605956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).