1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone

C8H14N2O2 — CID 129495718

IUPAC1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone
SMILESNCC(=O)N1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C8H14N2O2/c9-1-8(11)10-2-6-4-12-5-7(6)3-10/h6-7H,1-5,9H2/t6-,7-/m1/s1
InChIKeyHVKRKTBFXGHNIG-RNFRBKRXSA-N
MW170.21 g/mol
LogP-0.95
Rot. Bonds1

About 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone

1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone (PubChem CID 129495718) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone.

Molecular Properties

Compound Name1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone
PubChem CID129495718
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone
SMILESNCC(=O)N1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C8H14N2O2/c9-1-8(11)10-2-6-4-12-5-7(6)3-10/h6-7H,1-5,9H2/t6-,7-/m1/s1
InChIKeyHVKRKTBFXGHNIG-RNFRBKRXSA-N
XLogP-0.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-chloropropan-1-one
CID 129499985
3-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3-oxopropanenitrile
CID 129497295
2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
CID 129498097
2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 130678878
2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone
CID 129498292
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-fluorophenyl)ethanone
CID 97377913
(2S)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-chloropropan-1-one
CID 129497443
2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
CID 84755275
2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 121203025
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone?
The IUPAC name of 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone (CID 129495718) is 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone.
What is the SMILES notation for 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone?
The canonical SMILES for 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone is NCC(=O)N1C[C@@H]2COC[C@H]2C1.
What is the InChIKey of 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone?
The InChIKey is HVKRKTBFXGHNIG-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-1-8(11)10-2-6-4-12-5-7(6)3-10/h6-7H,1-5,9H2/t6-,7-/m1/s1.
What are the key properties of 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone?
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone has a molecular weight of 170.21 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-aminoethanone is sourced from PubChem (CID 129495718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).