methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate

C19H20FNO5 — CID 51537459

IUPACmethyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C19H20FNO5/c1-12(26-15-7-5-14(20)6-8-15)18(22)21-11-13-4-9-17(24-2)16(10-13)19(23)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyIIYREFQBUCVWGN-LBPRGKRZSA-N
MW361.37 g/mol
LogP2.70
Rot. Bonds7

About methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate

methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate (PubChem CID 51537459) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
PubChem CID51537459
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Namemethyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C19H20FNO5/c1-12(26-15-7-5-14(20)6-8-15)18(22)21-11-13-4-9-17(24-2)16(10-13)19(23)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyIIYREFQBUCVWGN-LBPRGKRZSA-N
XLogP2.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
CID 55770623
5-[[2-(4-cyanophenoxy)propanoylamino]methyl]-2-methoxybenzoic acid
CID 45384516
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenoxy)propanamide
CID 40817451
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738446
methyl 5-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111232807
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 5-[[[(2S)-2-but-3-enoxypropanoyl]amino]methyl]-2-methoxybenzoate
CID 95272521
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate (CID 51537459) is methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1OC.
What is the InChIKey of methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate?
The InChIKey is IIYREFQBUCVWGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-12(26-15-7-5-14(20)6-8-15)18(22)21-11-13-4-9-17(24-2)16(10-13)19(23)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)/t12-/m0/s1.
What are the key properties of methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate?
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate has a molecular weight of 361.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 51537459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).