[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

C15H18FNO4 — CID 8540784

IUPAC[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N[C@@H](C)C2CC2)cc1F
InChIInChI=1S/C15H18FNO4/c1-9(10-3-4-10)17-14(18)8-21-15(19)11-5-6-13(20-2)12(16)7-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeySUKXJJVVLTTWRH-VIFPVBQESA-N
MW295.31 g/mol
LogP1.91
Rot. Bonds6

About [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 8540784) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
PubChem CID8540784
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N[C@@H](C)C2CC2)cc1F
InChIInChI=1S/C15H18FNO4/c1-9(10-3-4-10)17-14(18)8-21-15(19)11-5-6-13(20-2)12(16)7-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeySUKXJJVVLTTWRH-VIFPVBQESA-N
XLogP1.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate with MolForge

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Related Compounds

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9490825
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8631230
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289552
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702748
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 50929744
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491217
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201392
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203367
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991607

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (CID 8540784) is [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)N[C@@H](C)C2CC2)cc1F.
What is the InChIKey of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is SUKXJJVVLTTWRH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18FNO4/c1-9(10-3-4-10)17-14(18)8-21-15(19)11-5-6-13(20-2)12(16)7-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 295.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8540784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).