8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

C17H20FNO4 — CID 154782864

IUPAC8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)cc1F
InChIInChI=1S/C17H20FNO4/c1-10-2-3-11(6-14(10)18)15(20)19-13-4-5-23-17(9-13)7-12(8-17)16(21)22/h2-3,6,12-13H,4-5,7-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyVNUGDTHIBYGJQD-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.28
Rot. Bonds3

About 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid

8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 154782864) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID154782864
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)cc1F
InChIInChI=1S/C17H20FNO4/c1-10-2-3-11(6-14(10)18)15(20)19-13-4-5-23-17(9-13)7-12(8-17)16(21)22/h2-3,6,12-13H,4-5,7-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyVNUGDTHIBYGJQD-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid with MolForge

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Related Compounds

8-[(5-methylfuran-3-carbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029363
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
CID 82765218
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide
CID 136537063
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
8-[(1-methylcycloheptanecarbonyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 138029398
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid (CID 154782864) is 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is Cc1ccc(C(=O)NC2CCOC3(C2)CC(C(=O)O)C3)cc1F.
What is the InChIKey of 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is VNUGDTHIBYGJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c1-10-2-3-11(6-14(10)18)15(20)19-13-4-5-23-17(9-13)7-12(8-17)16(21)22/h2-3,6,12-13H,4-5,7-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid?
8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 321.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 154782864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).