(3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol

C7H13NO3 — CID 137446450

IUPAC(3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol
SMILESCC1CO[C@]2(N)C(O)CO[C@H]12
InChIInChI=1S/C7H13NO3/c1-4-2-11-7(8)5(9)3-10-6(4)7/h4-6,9H,2-3,8H2,1H3/t4?,5?,6-,7-/m1/s1
InChIKeyLBDJFIYCEZNTKA-TVVDDFTJSA-N
MW159.18 g/mol
LogP-0.93
Rot. Bonds

About (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol

(3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol (PubChem CID 137446450) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol
PubChem CID137446450
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol
SMILESCC1CO[C@]2(N)C(O)CO[C@H]12
InChIInChI=1S/C7H13NO3/c1-4-2-11-7(8)5(9)3-10-6(4)7/h4-6,9H,2-3,8H2,1H3/t4?,5?,6-,7-/m1/s1
InChIKeyLBDJFIYCEZNTKA-TVVDDFTJSA-N
XLogP-0.93
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol?
The IUPAC name of (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol (CID 137446450) is (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol.
What is the SMILES notation for (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol?
The canonical SMILES for (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol is CC1CO[C@]2(N)C(O)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol?
The InChIKey is LBDJFIYCEZNTKA-TVVDDFTJSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-2-11-7(8)5(9)3-10-6(4)7/h4-6,9H,2-3,8H2,1H3/t4?,5?,6-,7-/m1/s1.
What are the key properties of (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol?
(3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol has a molecular weight of 159.18 g/mol, XLogP of -0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-6a-amino-3-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol is sourced from PubChem (CID 137446450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).