4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid

C14H18FNO5 — CID 66003733

IUPAC4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(Oc1ccccc1F)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C14H18FNO5/c1-9(21-11-6-4-3-5-10(11)15)13(19)16-8-14(2,20)7-12(17)18/h3-6,9,20H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUZHBSCNLKAMSDC-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.93
Rot. Bonds7

About 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid

4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66003733) has the molecular formula C14H18FNO5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66003733
Molecular FormulaC14H18FNO5
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(Oc1ccccc1F)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C14H18FNO5/c1-9(21-11-6-4-3-5-10(11)15)13(19)16-8-14(2,20)7-12(17)18/h3-6,9,20H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUZHBSCNLKAMSDC-UHFFFAOYSA-N
XLogP0.93
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
(2S)-2-[2-(2-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144253
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001414
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839802
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid (CID 66003733) is 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid is CC(Oc1ccccc1F)C(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is UZHBSCNLKAMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO5/c1-9(21-11-6-4-3-5-10(11)15)13(19)16-8-14(2,20)7-12(17)18/h3-6,9,20H,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid?
4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 299.30 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66003733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).