methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate

C20H23NO4 — CID 41237032

IUPACmethyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1
InChIInChI=1S/C20H23NO4/c1-13-11-17(13)18-9-7-16(25-18)8-10-19(22)21-12-14-3-5-15(6-4-14)20(23)24-2/h3-7,9,13,17H,8,10-12H2,1-2H3,(H,21,22)/t13-,17-/m1/s1
InChIKeyHLDGJRYEDMNUBR-CXAGYDPISA-N
MW341.41 g/mol
LogP3.44
Rot. Bonds7

About methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate

methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate (PubChem CID 41237032) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate
PubChem CID41237032
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1
InChIInChI=1S/C20H23NO4/c1-13-11-17(13)18-9-7-16(25-18)8-10-19(22)21-12-14-3-5-15(6-4-14)20(23)24-2/h3-7,9,13,17H,8,10-12H2,1-2H3,(H,21,22)/t13-,17-/m1/s1
InChIKeyHLDGJRYEDMNUBR-CXAGYDPISA-N
XLogP3.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
CID 43321572
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55854264
4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
CID 56812725
N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94017148
methyl 4-[[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]methyl]benzoate
CID 8020683
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 95789780
N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103713210
N-butan-2-yl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014175
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014209
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473556
N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 115771031

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate (CID 41237032) is methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1.
What is the InChIKey of methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate?
The InChIKey is HLDGJRYEDMNUBR-CXAGYDPISA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-11-17(13)18-9-7-16(25-18)8-10-19(22)21-12-14-3-5-15(6-4-14)20(23)24-2/h3-7,9,13,17H,8,10-12H2,1-2H3,(H,21,22)/t13-,17-/m1/s1.
What are the key properties of methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate?
methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate is sourced from PubChem (CID 41237032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).