(6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate

C9H14N2O7 — CID 163702253

IUPAC(6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate
SMILESNCC(=O)OC1COC2C(OC(=O)ON)COC12
InChIInChI=1S/C9H14N2O7/c10-1-6(12)16-4-2-14-8-5(3-15-7(4)8)17-9(13)18-11/h4-5,7-8H,1-3,10-11H2
InChIKeyKCAHBZDUQJLTMW-UHFFFAOYSA-N
MW262.22 g/mol
LogP-1.95
Rot. Bonds3

About (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate

(6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate (PubChem CID 163702253) has the molecular formula C9H14N2O7 and a molecular weight of 262.22 g/mol. Its IUPAC name is (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate.

Molecular Properties

Compound Name(6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate
PubChem CID163702253
Molecular FormulaC9H14N2O7
Molecular Weight262.22 g/mol
Exact Mass262.08
IUPAC Name(6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate
SMILESNCC(=O)OC1COC2C(OC(=O)ON)COC12
InChIInChI=1S/C9H14N2O7/c10-1-6(12)16-4-2-14-8-5(3-15-7(4)8)17-9(13)18-11/h4-5,7-8H,1-3,10-11H2
InChIKeyKCAHBZDUQJLTMW-UHFFFAOYSA-N
XLogP-1.95
TPSA132.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate?
The IUPAC name of (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate (CID 163702253) is (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate.
What is the SMILES notation for (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate?
The canonical SMILES for (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate is NCC(=O)OC1COC2C(OC(=O)ON)COC12.
What is the InChIKey of (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate?
The InChIKey is KCAHBZDUQJLTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O7/c10-1-6(12)16-4-2-14-8-5(3-15-7(4)8)17-9(13)18-11/h4-5,7-8H,1-3,10-11H2.
What are the key properties of (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate?
(6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate has a molecular weight of 262.22 g/mol, XLogP of -1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminooxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 2-aminoacetate is sourced from PubChem (CID 163702253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).