3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C11H13NO3 — CID 115009587

IUPAC3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1C2CN(Cc3ccco3)CC21
InChIInChI=1S/C11H13NO3/c13-11(14)10-8-5-12(6-9(8)10)4-7-2-1-3-15-7/h1-3,8-10H,4-6H2,(H,13,14)
InChIKeyQMTQABVNUNQKSI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.04
Rot. Bonds3

About 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 115009587) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID115009587
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1C2CN(Cc3ccco3)CC21
InChIInChI=1S/C11H13NO3/c13-11(14)10-8-5-12(6-9(8)10)4-7-2-1-3-15-7/h1-3,8-10H,4-6H2,(H,13,14)
InChIKeyQMTQABVNUNQKSI-UHFFFAOYSA-N
XLogP1.04
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
CID 118541836
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide
CID 98815635
[(3aR,7S,7aR)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(4-fluoropiperidin-1-yl)methanone
CID 97362646
2-[(3aR,7S,7aS)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379920
2-[(3aR,7S,7aS)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide
CID 97379986
(7R,10aS)-2-(cyclopropanecarbonyl)-9-(furan-2-ylmethyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 97459480
(3S,4R)-4-cyclopropyl-1-(furan-2-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 133125856

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 115009587) is 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is O=C(O)C1C2CN(Cc3ccco3)CC21.
What is the InChIKey of 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is QMTQABVNUNQKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(14)10-8-5-12(6-9(8)10)4-7-2-1-3-15-7/h1-3,8-10H,4-6H2,(H,13,14).
What are the key properties of 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 115009587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).