methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate

C14H20FNO3 — CID 115123467

IUPACmethyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate
SMILESCOC(=O)CC(O)CN(C)CCc1cccc(F)c1
InChIInChI=1S/C14H20FNO3/c1-16(10-13(17)9-14(18)19-2)7-6-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3
InChIKeyCLUCRFMNVLDUHC-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.22
Rot. Bonds7

About methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate

methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate (PubChem CID 115123467) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate
PubChem CID115123467
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate
SMILESCOC(=O)CC(O)CN(C)CCc1cccc(F)c1
InChIInChI=1S/C14H20FNO3/c1-16(10-13(17)9-14(18)19-2)7-6-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3
InChIKeyCLUCRFMNVLDUHC-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-fluorophenyl)methyl-methylamino]-3-hydroxybutanoate
CID 115123397
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
CID 115251116
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
CID 115123658
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
CID 131897473
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
The IUPAC name of methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate (CID 115123467) is methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate.
What is the SMILES notation for methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
The canonical SMILES for methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate is COC(=O)CC(O)CN(C)CCc1cccc(F)c1.
What is the InChIKey of methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
The InChIKey is CLUCRFMNVLDUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-16(10-13(17)9-14(18)19-2)7-6-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate has a molecular weight of 269.32 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate is sourced from PubChem (CID 115123467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).