N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide

C12H18N2O5 — CID 73132926

IUPACN-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide
SMILESNC(=O)COC1COC2C(NC(=O)C3CC3)COC12
InChIInChI=1S/C12H18N2O5/c13-9(15)5-17-8-4-19-10-7(3-18-11(8)10)14-12(16)6-1-2-6/h6-8,10-11H,1-5H2,(H2,13,15)(H,14,16)
InChIKeyDTZJZSUQVXPPOJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.45
Rot. Bonds5

About N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide

N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide (PubChem CID 73132926) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide
PubChem CID73132926
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC NameN-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide
SMILESNC(=O)COC1COC2C(NC(=O)C3CC3)COC12
InChIInChI=1S/C12H18N2O5/c13-9(15)5-17-8-4-19-10-7(3-18-11(8)10)14-12(16)6-1-2-6/h6-8,10-11H,1-5H2,(H2,13,15)(H,14,16)
InChIKeyDTZJZSUQVXPPOJ-UHFFFAOYSA-N
XLogP-1.45
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S,3aR,6R,6aS)-3-[(2-methoxyacetyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 11883268
N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-ethylbutanamide
CID 73132932
2-[[(3R,3aR,6R,6aR)-3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 162796412
2-[[3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 73133588
2-[[(3S,3aR,6R,6aS)-3-[(3,5-dimethoxyphenyl)carbamothioylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 11867360
4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide
CID 70968787
2-[[(3R,3aR,6R,6aR)-3-[(4-methylphenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 162847225
2-[[(3R,3aR,6R,6aR)-3-[(4-cyclopentylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 162807402
methyl 2-[[(3S,3aR,6R,6aS)-3-(2-ethylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
CID 11883252
N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 57330631
[(3R,3aR,6S,6aS)-3-(carbamoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 146656627
2-[[(3R,3aR,6R,6aR)-3-[(2-cyanophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 162837849

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide (CID 73132926) is N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide is NC(=O)COC1COC2C(NC(=O)C3CC3)COC12.
What is the InChIKey of N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide?
The InChIKey is DTZJZSUQVXPPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c13-9(15)5-17-8-4-19-10-7(3-18-11(8)10)14-12(16)6-1-2-6/h6-8,10-11H,1-5H2,(H2,13,15)(H,14,16).
What are the key properties of N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide?
N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide has a molecular weight of 270.29 g/mol, XLogP of -1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 73132926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).