2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid

C13H17FN2O5 — CID 62474332

IUPAC2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Nc1ccc(F)cc1OC)C(=O)O
InChIInChI=1S/C13H17FN2O5/c1-20-6-5-10(12(17)18)16-13(19)15-9-4-3-8(14)7-11(9)21-2/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyZBOPGXREXLUKTB-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.45
Rot. Bonds7

About 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid

2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid (PubChem CID 62474332) has the molecular formula C13H17FN2O5 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
PubChem CID62474332
Molecular FormulaC13H17FN2O5
Molecular Weight300.29 g/mol
Exact Mass300.11
IUPAC Name2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Nc1ccc(F)cc1OC)C(=O)O
InChIInChI=1S/C13H17FN2O5/c1-20-6-5-10(12(17)18)16-13(19)15-9-4-3-8(14)7-11(9)21-2/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyZBOPGXREXLUKTB-UHFFFAOYSA-N
XLogP1.45
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910096
2-[(2-chloro-5-fluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 107530131
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 82683479
2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120977642
2-[(2-chloro-5-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 107529838
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480249
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
2-acetamido-N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107769305

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid (CID 62474332) is 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid is COCCC(NC(=O)Nc1ccc(F)cc1OC)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid?
The InChIKey is ZBOPGXREXLUKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O5/c1-20-6-5-10(12(17)18)16-13(19)15-9-4-3-8(14)7-11(9)21-2/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid?
2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid has a molecular weight of 300.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62474332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).