methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate

C16H19NO5 — CID 170883905

IUPACmethyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(COc2ccc(OC)cc2)o1
InChIInChI=1S/C16H19NO5/c1-19-11-3-5-12(6-4-11)21-10-14-8-7-13(22-14)9-15(17)16(18)20-2/h3-8,15H,9-10,17H2,1-2H3
InChIKeySWLYDUWOTIAXQW-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.91
Rot. Bonds7

About methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate

methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate (PubChem CID 170883905) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
PubChem CID170883905
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Namemethyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(COc2ccc(OC)cc2)o1
InChIInChI=1S/C16H19NO5/c1-19-11-3-5-12(6-4-11)21-10-14-8-7-13(22-14)9-15(17)16(18)20-2/h3-8,15H,9-10,17H2,1-2H3
InChIKeySWLYDUWOTIAXQW-UHFFFAOYSA-N
XLogP1.91
TPSA83.92 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid
CID 170879752
ethyl 2-amino-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885387
methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170883920
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
CID 170884284
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
ethyl 2-amino-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]propanoate
CID 170885412
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
methyl 2-amino-3-[5-[(5-fluoro-2-nitrophenoxy)methyl]furan-2-yl]propanoate
CID 170883972
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine
CID 170865096
methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
CID 170883928

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate (CID 170883905) is methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate is COC(=O)C(N)Cc1ccc(COc2ccc(OC)cc2)o1.
What is the InChIKey of methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate?
The InChIKey is SWLYDUWOTIAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-19-11-3-5-12(6-4-11)21-10-14-8-7-13(22-14)9-15(17)16(18)20-2/h3-8,15H,9-10,17H2,1-2H3.
What are the key properties of methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate?
methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate has a molecular weight of 305.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate is sourced from PubChem (CID 170883905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).