2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid

C14H19FN2O4 — CID 81085236

IUPAC2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)c1ccccc1F)C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-17(12-8-4-3-6-10(12)15)14(20)16-11(13(18)19)7-5-9-21-2/h3-4,6,8,11H,5,7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyABWINYKALUTVOP-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.85
Rot. Bonds7

About 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid

2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid (PubChem CID 81085236) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
PubChem CID81085236
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)c1ccccc1F)C(=O)O
InChIInChI=1S/C14H19FN2O4/c1-17(12-8-4-3-6-10(12)15)14(20)16-11(13(18)19)7-5-9-21-2/h3-4,6,8,11H,5,7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyABWINYKALUTVOP-UHFFFAOYSA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62474880
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid
CID 81082348
2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide
CID 81087999
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076583
2-(2-carbamoyl-3-fluoroanilino)-5-methoxypentanoic acid
CID 81078963
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084411
5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 81077327
2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
CID 81084032
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid (CID 81085236) is 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)N(C)c1ccccc1F)C(=O)O.
What is the InChIKey of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
The InChIKey is ABWINYKALUTVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-17(12-8-4-3-6-10(12)15)14(20)16-11(13(18)19)7-5-9-21-2/h3-4,6,8,11H,5,7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid?
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid has a molecular weight of 298.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81085236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).