methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate

C19H20FNO6 — CID 55928864

IUPACmethyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C19H20FNO6/c1-11(2)16(21-17(22)12-6-4-5-7-14(12)20)19(24)27-10-15-13(8-9-26-15)18(23)25-3/h4-9,11,16H,10H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyUICXKFPOAKSCKZ-INIZCTEOSA-N
MW377.37 g/mol
LogP2.70
Rot. Bonds7

About methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate

methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate (PubChem CID 55928864) has the molecular formula C19H20FNO6 and a molecular weight of 377.37 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate
PubChem CID55928864
Molecular FormulaC19H20FNO6
Molecular Weight377.37 g/mol
Exact Mass377.13
IUPAC Namemethyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C19H20FNO6/c1-11(2)16(21-17(22)12-6-4-5-7-14(12)20)19(24)27-10-15-13(8-9-26-15)18(23)25-3/h4-9,11,16H,10H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyUICXKFPOAKSCKZ-INIZCTEOSA-N
XLogP2.70
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate 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

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 55941364
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
dimethyl 5-[[2-[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 55926713
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 7567588
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134023150
2-fluoro-N-[3-methyl-1-oxo-1-(phenylmethoxyamino)butan-2-yl]benzamide
CID 51151730
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 78728936
(7,8-dimethyl-2-oxochromen-4-yl)methyl (2R)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 51556586
methyl 4-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]oxymethyl]benzoate
CID 8848612
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2R)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 2105839

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate (CID 55928864) is methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C.
What is the InChIKey of methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate?
The InChIKey is UICXKFPOAKSCKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FNO6/c1-11(2)16(21-17(22)12-6-4-5-7-14(12)20)19(24)27-10-15-13(8-9-26-15)18(23)25-3/h4-9,11,16H,10H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate?
methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 55928864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).