2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid

C12H15FN2O4 — CID 63674783

IUPAC2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid
SMILESCOCCC(Nc1ccc(F)cc1C(N)=O)C(=O)O
InChIInChI=1S/C12H15FN2O4/c1-19-5-4-10(12(17)18)15-9-3-2-7(13)6-8(9)11(14)16/h2-3,6,10,15H,4-5H2,1H3,(H2,14,16)(H,17,18)
InChIKeyQTINPLFZRMQUBP-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.83
Rot. Bonds7

About 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid

2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid (PubChem CID 63674783) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid
PubChem CID63674783
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid
SMILESCOCCC(Nc1ccc(F)cc1C(N)=O)C(=O)O
InChIInChI=1S/C12H15FN2O4/c1-19-5-4-10(12(17)18)15-9-3-2-7(13)6-8(9)11(14)16/h2-3,6,10,15H,4-5H2,1H3,(H2,14,16)(H,17,18)
InChIKeyQTINPLFZRMQUBP-UHFFFAOYSA-N
XLogP0.83
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 273128
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CID 3086277
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CID 11235484
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CID 2883262
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CID 11984151
CID 11984151
CID 75528842
CID 75528842
CID 13442364
CID 13442364
CID 3086278
CID 3086278
CID 3245012
CID 3245012
CID 4386058
CID 4386058
CID 4411175
CID 4411175
CID 4519229
CID 4519229

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid?
The IUPAC name of 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid (CID 63674783) is 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid is COCCC(Nc1ccc(F)cc1C(N)=O)C(=O)O.
What is the InChIKey of 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid?
The InChIKey is QTINPLFZRMQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-19-5-4-10(12(17)18)15-9-3-2-7(13)6-8(9)11(14)16/h2-3,6,10,15H,4-5H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid?
2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid has a molecular weight of 270.26 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-4-fluoroanilino)-4-methoxybutanoic acid is sourced from PubChem (CID 63674783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).