methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C15H20FNO5 — CID 118862695

IUPACmethyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(COc1cccc(F)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO5/c1-15(2,3)22-14(19)17-12(13(18)20-4)9-21-11-7-5-6-10(16)8-11/h5-8,12H,9H2,1-4H3,(H,17,19)
InChIKeyRHKKJORQCDAVGB-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.27
Rot. Bonds5

About methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 118862695) has the molecular formula C15H20FNO5 and a molecular weight of 313.33 g/mol. Its IUPAC name is methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID118862695
Molecular FormulaC15H20FNO5
Molecular Weight313.33 g/mol
Exact Mass313.13
IUPAC Namemethyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(COc1cccc(F)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO5/c1-15(2,3)22-14(19)17-12(13(18)20-4)9-21-11-7-5-6-10(16)8-11/h5-8,12H,9H2,1-4H3,(H,17,19)
InChIKeyRHKKJORQCDAVGB-UHFFFAOYSA-N
XLogP2.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate 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

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yloxypropanoate
CID 118862766
methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
methyl 3-(2,4-difluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862794
methyl 3-(3-fluorophenoxy)-2-(tritylamino)propanoate
CID 118862708
(2R)-3-(4-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 58736947
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylmethoxyphenyl)propanoate
CID 101162727
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,4,6-trimethylphenoxy)propanoate
CID 58592000
tert-butyl N-[(2S)-1-(3,5-difluorophenoxy)-3-oxo-5-phenylpentan-2-yl]carbamate
CID 70235481
methyl 3-(2-(18F)fluoro-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156599478
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
(2R)-2-[(3-fluorophenoxy)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 159677204

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 118862695) is methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C(COc1cccc(F)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is RHKKJORQCDAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO5/c1-15(2,3)22-14(19)17-12(13(18)20-4)9-21-11-7-5-6-10(16)8-11/h5-8,12H,9H2,1-4H3,(H,17,19).
What are the key properties of methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 313.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 118862695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).