2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid

C13H18FNO3 — CID 115005524

IUPAC2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
SMILESCCOc1ccc(CCCC(N)C(=O)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-2-18-12-7-6-9(8-10(12)14)4-3-5-11(15)13(16)17/h6-8,11H,2-5,15H2,1H3,(H,16,17)
InChIKeyPDGOLWSFCMRSKY-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.96
Rot. Bonds7

About 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid

2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid (PubChem CID 115005524) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
PubChem CID115005524
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
SMILESCCOc1ccc(CCCC(N)C(=O)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-2-18-12-7-6-9(8-10(12)14)4-3-5-11(15)13(16)17/h6-8,11H,2-5,15H2,1H3,(H,16,17)
InChIKeyPDGOLWSFCMRSKY-UHFFFAOYSA-N
XLogP1.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid?
The IUPAC name of 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid (CID 115005524) is 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid is CCOc1ccc(CCCC(N)C(=O)O)cc1F.
What is the InChIKey of 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid?
The InChIKey is PDGOLWSFCMRSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-2-18-12-7-6-9(8-10(12)14)4-3-5-11(15)13(16)17/h6-8,11H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid?
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid has a molecular weight of 255.29 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid is sourced from PubChem (CID 115005524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).