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

C15H17NO4 — CID 170884284

IUPACmethyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2cccc(OC)c2)o1
InChIInChI=1S/C15H17NO4/c1-18-11-5-3-4-10(8-11)14-7-6-12(20-14)9-13(16)15(17)19-2/h3-8,13H,9,16H2,1-2H3
InChIKeyUMWGWAUDUWJZIR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.00
Rot. Bonds5

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

methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate (PubChem CID 170884284) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
PubChem CID170884284
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2cccc(OC)c2)o1
InChIInChI=1S/C15H17NO4/c1-18-11-5-3-4-10(8-11)14-7-6-12(20-14)9-13(16)15(17)19-2/h3-8,13H,9,16H2,1-2H3
InChIKeyUMWGWAUDUWJZIR-UHFFFAOYSA-N
XLogP2.00
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methoxyphenyl)furan-2-yl]methanamine
CID 43826373
methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
CID 170883905
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
2-[[5-(3-methoxyphenyl)furan-2-yl]methylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 39885144
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 171238032
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 173108252

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate (CID 170884284) is methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate is COC(=O)C(N)Cc1ccc(-c2cccc(OC)c2)o1.
What is the InChIKey of methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate?
The InChIKey is UMWGWAUDUWJZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-11-5-3-4-10(8-11)14-7-6-12(20-14)9-13(16)15(17)19-2/h3-8,13H,9,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate?
methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate has a molecular weight of 275.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate is sourced from PubChem (CID 170884284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).