3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid

C16H18FNO6 — CID 120688787

IUPAC3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCC(=O)NC2(C(=O)O)CCOC2)cc1F
InChIInChI=1S/C16H18FNO6/c1-23-13-4-2-10(8-11(13)17)12(19)3-5-14(20)18-16(15(21)22)6-7-24-9-16/h2,4,8H,3,5-7,9H2,1H3,(H,18,20)(H,21,22)
InChIKeyOXLIMEYQLAYPKW-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.16
Rot. Bonds7

About 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid

3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid (PubChem CID 120688787) has the molecular formula C16H18FNO6 and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid
PubChem CID120688787
Molecular FormulaC16H18FNO6
Molecular Weight339.32 g/mol
Exact Mass339.11
IUPAC Name3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCC(=O)NC2(C(=O)O)CCOC2)cc1F
InChIInChI=1S/C16H18FNO6/c1-23-13-4-2-10(8-11(13)17)12(19)3-5-14(20)18-16(15(21)22)6-7-24-9-16/h2,4,8H,3,5-7,9H2,1H3,(H,18,20)(H,21,22)
InChIKeyOXLIMEYQLAYPKW-UHFFFAOYSA-N
XLogP1.16
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]oxolane-3-carboxylic acid
CID 120688779
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
4-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 119352903
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889400

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid (CID 120688787) is 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid is COc1ccc(C(=O)CCC(=O)NC2(C(=O)O)CCOC2)cc1F.
What is the InChIKey of 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is OXLIMEYQLAYPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO6/c1-23-13-4-2-10(8-11(13)17)12(19)3-5-14(20)18-16(15(21)22)6-7-24-9-16/h2,4,8H,3,5-7,9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid?
3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 339.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120688787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).