4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid

C14H17FN2O4 — CID 66238951

IUPAC4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccccc1F)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(6-9-4-2-3-5-11(9)15)14(20)16-12-8-21-7-10(12)13(18)19/h2-5,10,12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyVFMATKPFXUYFOG-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.07
Rot. Bonds4

About 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid

4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66238951) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66238951
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccccc1F)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(6-9-4-2-3-5-11(9)15)14(20)16-12-8-21-7-10(12)13(18)19/h2-5,10,12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyVFMATKPFXUYFOG-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256505
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240752
1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
CID 47238706
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
CID 66220969
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222666
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 66238951) is 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid is CN(Cc1ccccc1F)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is VFMATKPFXUYFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-17(6-9-4-2-3-5-11(9)15)14(20)16-12-8-21-7-10(12)13(18)19/h2-5,10,12H,6-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).