2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid

C20H25NO6 — CID 91392041

IUPAC2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid
SMILESCOc1ccc(C2=C(CC(=O)O)C3(CCOC3)ON2)cc1OC1CCCC1
InChIInChI=1S/C20H25NO6/c1-24-16-7-6-13(10-17(16)26-14-4-2-3-5-14)19-15(11-18(22)23)20(27-21-19)8-9-25-12-20/h6-7,10,14,21H,2-5,8-9,11-12H2,1H3,(H,22,23)
InChIKeyLHJJROCKHBOVKV-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.90
Rot. Bonds6

About 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid

2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid (PubChem CID 91392041) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid
PubChem CID91392041
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid
SMILESCOc1ccc(C2=C(CC(=O)O)C3(CCOC3)ON2)cc1OC1CCCC1
InChIInChI=1S/C20H25NO6/c1-24-16-7-6-13(10-17(16)26-14-4-2-3-5-14)19-15(11-18(22)23)20(27-21-19)8-9-25-12-20/h6-7,10,14,21H,2-5,8-9,11-12H2,1H3,(H,22,23)
InChIKeyLHJJROCKHBOVKV-UHFFFAOYSA-N
XLogP2.90
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid with MolForge

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Related Compounds

7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91294469
3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91100905
2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119215445
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
CID 91270856
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 57160895
1-[5-acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazol-5-yl]propan-2-one
CID 59550966
3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91156142

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid?
The IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid (CID 91392041) is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid?
The canonical SMILES for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid is COc1ccc(C2=C(CC(=O)O)C3(CCOC3)ON2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid?
The InChIKey is LHJJROCKHBOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-24-16-7-6-13(10-17(16)26-14-4-2-3-5-14)19-15(11-18(22)23)20(27-21-19)8-9-25-12-20/h6-7,10,14,21H,2-5,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid?
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid has a molecular weight of 375.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid is sourced from PubChem (CID 91392041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).