3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid

C14H20FNO3 — CID 62827812

IUPAC3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid
SMILESCCN(Cc1cc(F)ccc1OC)C(C)CC(=O)O
InChIInChI=1S/C14H20FNO3/c1-4-16(10(2)7-14(17)18)9-11-8-12(15)5-6-13(11)19-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyGUHRTEOSQNCUGA-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.52
Rot. Bonds7

About 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid

3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid (PubChem CID 62827812) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid
PubChem CID62827812
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid
SMILESCCN(Cc1cc(F)ccc1OC)C(C)CC(=O)O
InChIInChI=1S/C14H20FNO3/c1-4-16(10(2)7-14(17)18)9-11-8-12(15)5-6-13(11)19-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyGUHRTEOSQNCUGA-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60838993
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid
CID 65060900
3-[(2-ethoxyphenyl)methyl-ethylamino]butanoic acid
CID 55122799
3-[[butan-2-yl(ethyl)amino]methyl]-4-methoxybenzoic acid
CID 62018229
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-methoxybenzoic acid
CID 62017479
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
(2S)-2-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 96664419
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
3-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]butanoic acid
CID 65060942

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid (CID 62827812) is 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid is CCN(Cc1cc(F)ccc1OC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid?
The InChIKey is GUHRTEOSQNCUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-4-16(10(2)7-14(17)18)9-11-8-12(15)5-6-13(11)19-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid?
3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid has a molecular weight of 269.32 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid is sourced from PubChem (CID 62827812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).