(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one

C12H22N2O2 — CID 124829082

IUPAC(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one
SMILESCCO[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](N)[C@H]2C1
InChIInChI=1S/C12H22N2O2/c1-3-16-8(2)12(15)14-6-9-4-5-11(13)10(9)7-14/h8-11H,3-7,13H2,1-2H3/t8-,9+,10+,11-/m1/s1
InChIKeyOISZCDJFUAJHQO-VPOLOUISSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds3

About (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one

(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one (PubChem CID 124829082) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one
PubChem CID124829082
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one
SMILESCCO[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](N)[C@H]2C1
InChIInChI=1S/C12H22N2O2/c1-3-16-8(2)12(15)14-6-9-4-5-11(13)10(9)7-14/h8-11H,3-7,13H2,1-2H3/t8-,9+,10+,11-/m1/s1
InChIKeyOISZCDJFUAJHQO-VPOLOUISSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one?
The IUPAC name of (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one (CID 124829082) is (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one.
What is the SMILES notation for (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one?
The canonical SMILES for (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one is CCO[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](N)[C@H]2C1.
What is the InChIKey of (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one?
The InChIKey is OISZCDJFUAJHQO-VPOLOUISSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-16-8(2)12(15)14-6-9-4-5-11(13)10(9)7-14/h8-11H,3-7,13H2,1-2H3/t8-,9+,10+,11-/m1/s1.
What are the key properties of (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one?
(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one is sourced from PubChem (CID 124829082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).