4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate

C14H15FNO5- — CID 7316365

IUPAC4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate
SMILESCOC(=O)C[C@@H](NC(=O)CCC(=O)[O-])c1cccc(F)c1
InChIInChI=1S/C14H16FNO5/c1-21-14(20)8-11(9-3-2-4-10(15)7-9)16-12(17)5-6-13(18)19/h2-4,7,11H,5-6,8H2,1H3,(H,16,17)(H,18,19)/p-1/t11-/m1/s1
InChIKeyCCQQFEFQEQAJOM-LLVKDONJSA-M
MW296.27 g/mol
LogP0.08
Rot. Bonds7

About 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate

4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate (PubChem CID 7316365) has the molecular formula C14H15FNO5- and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate
PubChem CID7316365
Molecular FormulaC14H15FNO5-
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate
SMILESCOC(=O)C[C@@H](NC(=O)CCC(=O)[O-])c1cccc(F)c1
InChIInChI=1S/C14H16FNO5/c1-21-14(20)8-11(9-3-2-4-10(15)7-9)16-12(17)5-6-13(18)19/h2-4,7,11H,5-6,8H2,1H3,(H,16,17)(H,18,19)/p-1/t11-/m1/s1
InChIKeyCCQQFEFQEQAJOM-LLVKDONJSA-M
XLogP0.08
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-[[1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 51361765
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
methyl 3-(3-fluorophenyl)-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]propanoate
CID 2768265
ethyl (3S)-3-[(2-cyclopropyloxyacetyl)amino]-3-(3-fluorophenyl)propanoate
CID 163413081
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
methyl 4-(3-fluorophenyl)-4-hydroxybutanoate
CID 60731823
methyl 3-[(2-aminoacetyl)amino]-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 18518052
methyl (3R)-3-(3-acetamidopropanoylamino)-3-phenylpropanoate
CID 101427292
methyl 3-[4-(3-bromophenoxy)butanoylamino]-3-phenylpropanoate
CID 46483417
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
CID 9333199
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate?
The IUPAC name of 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate (CID 7316365) is 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate.
What is the SMILES notation for 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate?
The canonical SMILES for 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate is COC(=O)C[C@@H](NC(=O)CCC(=O)[O-])c1cccc(F)c1.
What is the InChIKey of 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate?
The InChIKey is CCQQFEFQEQAJOM-LLVKDONJSA-M. The full InChI is InChI=1S/C14H16FNO5/c1-21-14(20)8-11(9-3-2-4-10(15)7-9)16-12(17)5-6-13(18)19/h2-4,7,11H,5-6,8H2,1H3,(H,16,17)(H,18,19)/p-1/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate?
4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate has a molecular weight of 296.27 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate is sourced from PubChem (CID 7316365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).