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

C15H15Cl2NO4 — CID 170883920

IUPACmethyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H15Cl2NO4/c1-20-15(19)13(18)7-10-3-4-11(22-10)8-21-14-5-2-9(16)6-12(14)17/h2-6,13H,7-8,18H2,1H3
InChIKeyKXAKJNIQJGEPJN-UHFFFAOYSA-N
MW344.19 g/mol
LogP3.21
Rot. Bonds6

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

methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate (PubChem CID 170883920) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate
PubChem CID170883920
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Namemethyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H15Cl2NO4/c1-20-15(19)13(18)7-10-3-4-11(22-10)8-21-14-5-2-9(16)6-12(14)17/h2-6,13H,7-8,18H2,1H3
InChIKeyKXAKJNIQJGEPJN-UHFFFAOYSA-N
XLogP3.21
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
ethyl 2-amino-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]propanoate
CID 170885412
ethyl 2-amino-3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]propanoate
CID 165351321
ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170885417
methyl 2-amino-3-[5-[(5-fluoro-2-nitrophenoxy)methyl]furan-2-yl]propanoate
CID 170883972
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3392099
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
ethyl 2-amino-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885411
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate (CID 170883920) is methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate is COC(=O)C(N)Cc1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate?
The InChIKey is KXAKJNIQJGEPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c1-20-15(19)13(18)7-10-3-4-11(22-10)8-21-14-5-2-9(16)6-12(14)17/h2-6,13H,7-8,18H2,1H3.
What are the key properties of methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate?
methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate has a molecular weight of 344.19 g/mol, XLogP of 3.21, 6 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-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate is sourced from PubChem (CID 170883920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).