[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate

C10H17NO4 — CID 176676244

IUPAC[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate
SMILESNCCCC(=O)O[C@@H]1COC2CCOC21
InChIInChI=1S/C10H17NO4/c11-4-1-2-9(12)15-8-6-14-7-3-5-13-10(7)8/h7-8,10H,1-6,11H2/t7?,8-,10?/m1/s1
InChIKeyXQIPBTIRAGKTEJ-CCNFQMFXSA-N
MW215.25 g/mol
LogP-0.18
Rot. Bonds4

About [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate

[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate (PubChem CID 176676244) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate.

Molecular Properties

Compound Name[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate
PubChem CID176676244
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate
SMILESNCCCC(=O)O[C@@H]1COC2CCOC21
InChIInChI=1S/C10H17NO4/c11-4-1-2-9(12)15-8-6-14-7-3-5-13-10(7)8/h7-8,10H,1-6,11H2/t7?,8-,10?/m1/s1
InChIKeyXQIPBTIRAGKTEJ-CCNFQMFXSA-N
XLogP-0.18
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate with MolForge

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Related Compounds

[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 137484809
[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 118882980
[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 3-cyanatopropanoate;3-cyanatopropanoic acid
CID 144610414
(Z)-4-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-oxobut-2-enoic acid
CID 144610402
[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (Z)-4-oxopent-2-enoate
CID 144610374
[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] prop-2-enoate;prop-2-enoic acid
CID 168912916
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol
CID 137446456
O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane
CID 176698149
(3-butanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) pentanoate
CID 77273169
3-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-3-oxoprop-1-ene-1-sulfinic acid
CID 123808483
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 4-butylbenzoate
CID 90731148
heptadecan-9-yl 8-[[4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-4-oxobutyl]-(2-hydroxy-6-oxo-6-undecoxyhexyl)amino]-7-hydroxyoctanoate
CID 176659174

Frequently Asked Questions

What is the IUPAC name of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate?
The IUPAC name of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate (CID 176676244) is [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate.
What is the SMILES notation for [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate?
The canonical SMILES for [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate is NCCCC(=O)O[C@@H]1COC2CCOC21.
What is the InChIKey of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate?
The InChIKey is XQIPBTIRAGKTEJ-CCNFQMFXSA-N. The full InChI is InChI=1S/C10H17NO4/c11-4-1-2-9(12)15-8-6-14-7-3-5-13-10(7)8/h7-8,10H,1-6,11H2/t7?,8-,10?/m1/s1.
What are the key properties of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate?
[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate has a molecular weight of 215.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate is sourced from PubChem (CID 176676244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).