methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate

C16H19NO5 — CID 10780893

IUPACmethyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate
SMILESCOC(=O)[C@@H](OC)[C@@H](Nc1ccccc1OC)c1ccco1
InChIInChI=1S/C16H19NO5/c1-19-12-8-5-4-7-11(12)17-14(13-9-6-10-22-13)15(20-2)16(18)21-3/h4-10,14-15,17H,1-3H3/t14-,15-/m0/s1
InChIKeyPLOPSEFQQWNARF-GJZGRUSLSA-N
MW305.33 g/mol
LogP2.63
Rot. Bonds7

About methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate

methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate (PubChem CID 10780893) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate
PubChem CID10780893
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Namemethyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate
SMILESCOC(=O)[C@@H](OC)[C@@H](Nc1ccccc1OC)c1ccco1
InChIInChI=1S/C16H19NO5/c1-19-12-8-5-4-7-11(12)17-14(13-9-6-10-22-13)15(20-2)16(18)21-3/h4-10,14-15,17H,1-3H3/t14-,15-/m0/s1
InChIKeyPLOPSEFQQWNARF-GJZGRUSLSA-N
XLogP2.63
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
CID 10570854
2-[(S)-furan-2-yl-(2-methoxyanilino)methyl]sulfanylacetic acid
CID 51567261
1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
CID 175286342
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
CID 60993730
(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 9454002
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[furan-2-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191034
3-methoxy-2-(2-methoxyanilino)butanoic acid
CID 112518310

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate?
The IUPAC name of methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate (CID 10780893) is methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate.
What is the SMILES notation for methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate?
The canonical SMILES for methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate is COC(=O)[C@@H](OC)[C@@H](Nc1ccccc1OC)c1ccco1.
What is the InChIKey of methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate?
The InChIKey is PLOPSEFQQWNARF-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H19NO5/c1-19-12-8-5-4-7-11(12)17-14(13-9-6-10-22-13)15(20-2)16(18)21-3/h4-10,14-15,17H,1-3H3/t14-,15-/m0/s1.
What are the key properties of methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate?
methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate has a molecular weight of 305.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate is sourced from PubChem (CID 10780893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).