2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C14H21N3O — CID 114056364

IUPAC2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESC[C@H](N)c1cccnc1N1CC2CCC(O)C2C1
InChIInChI=1S/C14H21N3O/c1-9(15)11-3-2-6-16-14(11)17-7-10-4-5-13(18)12(10)8-17/h2-3,6,9-10,12-13,18H,4-5,7-8,15H2,1H3/t9-,10?,12?,13?/m0/s1
InChIKeyVWTAJPXOEFGIMA-IKLSWPCZSA-N
MW247.34 g/mol
LogP1.31
Rot. Bonds2

About 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 114056364) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID114056364
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESC[C@H](N)c1cccnc1N1CC2CCC(O)C2C1
InChIInChI=1S/C14H21N3O/c1-9(15)11-3-2-6-16-14(11)17-7-10-4-5-13(18)12(10)8-17/h2-3,6,9-10,12-13,18H,4-5,7-8,15H2,1H3/t9-,10?,12?,13?/m0/s1
InChIKeyVWTAJPXOEFGIMA-IKLSWPCZSA-N
XLogP1.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol 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 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 114056364) is 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is C[C@H](N)c1cccnc1N1CC2CCC(O)C2C1.
What is the InChIKey of 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is VWTAJPXOEFGIMA-IKLSWPCZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(15)11-3-2-6-16-14(11)17-7-10-4-5-13(18)12(10)8-17/h2-3,6,9-10,12-13,18H,4-5,7-8,15H2,1H3/t9-,10?,12?,13?/m0/s1.
What are the key properties of 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 247.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 114056364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).