4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid

C14H17FN2O4 — CID 66236839

IUPAC4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(Cc1cc(C(N)=O)ccc1F)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(12-7-21-6-10(12)14(19)20)5-9-4-8(13(16)18)2-3-11(9)15/h2-4,10,12H,5-7H2,1H3,(H2,16,18)(H,19,20)
InChIKeyWAUUYEKQOSKZSB-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.46
Rot. Bonds5

About 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid

4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236839) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66236839
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(Cc1cc(C(N)=O)ccc1F)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(12-7-21-6-10(12)14(19)20)5-9-4-8(13(16)18)2-3-11(9)15/h2-4,10,12H,5-7H2,1H3,(H2,16,18)(H,19,20)
InChIKeyWAUUYEKQOSKZSB-UHFFFAOYSA-N
XLogP0.46
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-difluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235385
4-[(2-cyano-5-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237001
4-[(3-cyano-4-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 107882937
4-[(5-fluoro-2-nitrophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236601
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
4-[(2-hydroxy-5-methoxyphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66265714
4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79595785
4-[(3-chloro-4-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872449
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
4-[(5-bromothiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66238008
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79977911

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid (CID 66236839) is 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid is CN(Cc1cc(C(N)=O)ccc1F)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is WAUUYEKQOSKZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-17(12-7-21-6-10(12)14(19)20)5-9-4-8(13(16)18)2-3-11(9)15/h2-4,10,12H,5-7H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid?
4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).