6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C21H22N2O6 — CID 119174620

IUPAC6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(Nc1cccc(OCC(=O)N2CCC3(CC2)CC3C(=O)O)c1)c1ccco1
InChIInChI=1S/C21H22N2O6/c24-18(23-8-6-21(7-9-23)12-16(21)20(26)27)13-29-15-4-1-3-14(11-15)22-19(25)17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,22,25)(H,26,27)
InChIKeyOSKQGAZKOHAJNU-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.62
Rot. Bonds6

About 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174620) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174620
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(Nc1cccc(OCC(=O)N2CCC3(CC2)CC3C(=O)O)c1)c1ccco1
InChIInChI=1S/C21H22N2O6/c24-18(23-8-6-21(7-9-23)12-16(21)20(26)27)13-29-15-4-1-3-14(11-15)22-19(25)17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,22,25)(H,26,27)
InChIKeyOSKQGAZKOHAJNU-UHFFFAOYSA-N
XLogP2.62
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
CID 46407153
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119354069
(3aS,6aR)-2-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681885
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55961197
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
N-[3-[2-[(1-cyanocyclobutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 71935882
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839
6-[2-(2-fluorophenoxy)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175575
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174620) is 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(Nc1cccc(OCC(=O)N2CCC3(CC2)CC3C(=O)O)c1)c1ccco1.
What is the InChIKey of 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is OSKQGAZKOHAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c24-18(23-8-6-21(7-9-23)12-16(21)20(26)27)13-29-15-4-1-3-14(11-15)22-19(25)17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,22,25)(H,26,27).
What are the key properties of 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 398.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).