methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate

C14H18FNO4 — CID 60724668

IUPACmethyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-10(14(18)19-2)16-13(17)4-3-9-20-12-7-5-11(15)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyUUXCLSZZRZPJBA-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.66
Rot. Bonds7

About methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate

methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate (PubChem CID 60724668) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
PubChem CID60724668
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-10(14(18)19-2)16-13(17)4-3-9-20-12-7-5-11(15)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyUUXCLSZZRZPJBA-UHFFFAOYSA-N
XLogP1.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
4-(4-fluorophenoxy)butanamide
CID 43244704
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
(2S)-2-[4-(4-fluorophenoxy)butanoylamino]-3-hydroxypropanoic acid
CID 61153383
3-(4-fluorophenyl)-3-[4-(4-methoxyphenoxy)butanoylamino]propanoic acid
CID 45432084
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate?
The IUPAC name of methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate (CID 60724668) is methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate.
What is the SMILES notation for methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate?
The canonical SMILES for methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate is COC(=O)C(C)NC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate?
The InChIKey is UUXCLSZZRZPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-10(14(18)19-2)16-13(17)4-3-9-20-12-7-5-11(15)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate?
methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate has a molecular weight of 283.30 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate is sourced from PubChem (CID 60724668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).