2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid

C14H18FNO4 — CID 65223456

IUPAC2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-2-4-10(14(18)19)8-16-13(17)9-20-12-6-3-5-11(15)7-12/h3,5-7,10H,2,4,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyUVQLHQKBSGQCIR-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.82
Rot. Bonds8

About 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid

2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid (PubChem CID 65223456) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid
PubChem CID65223456
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)COc1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-2-4-10(14(18)19)8-16-13(17)9-20-12-6-3-5-11(15)7-12/h3,5-7,10H,2,4,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyUVQLHQKBSGQCIR-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 65219294
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034
(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]butanoic acid
CID 138632179
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid (CID 65223456) is 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)COc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid?
The InChIKey is UVQLHQKBSGQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-2-4-10(14(18)19)8-16-13(17)9-20-12-6-3-5-11(15)7-12/h3,5-7,10H,2,4,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid?
2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65223456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).