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

C16H17Cl2NO4 — CID 170885417

IUPACethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H17Cl2NO4/c1-2-21-16(20)13(19)8-10-6-7-11(23-10)9-22-14-5-3-4-12(17)15(14)18/h3-7,13H,2,8-9,19H2,1H3
InChIKeyQQFQHROFUMPMMO-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.60
Rot. Bonds7

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

ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate (PubChem CID 170885417) has the molecular formula C16H17Cl2NO4 and a molecular weight of 358.22 g/mol. Its IUPAC name is ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
PubChem CID170885417
Molecular FormulaC16H17Cl2NO4
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC Nameethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H17Cl2NO4/c1-2-21-16(20)13(19)8-10-6-7-11(23-10)9-22-14-5-3-4-12(17)15(14)18/h3-7,13H,2,8-9,19H2,1H3
InChIKeyQQFQHROFUMPMMO-UHFFFAOYSA-N
XLogP3.60
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885411
ethyl (2R)-2-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19415733
ethyl 2-amino-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]propanoate
CID 170885412
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
ethyl 2-amino-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885387
ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate
CID 131698761
methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170883920
5-[(2,3-dichlorophenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 63574357
5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753507
(3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate
CID 35765151
ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 170885305
N-(cyclopropylmethyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 95756198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate (CID 170885417) is ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate is CCOC(=O)C(N)Cc1ccc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate?
The InChIKey is QQFQHROFUMPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4/c1-2-21-16(20)13(19)8-10-6-7-11(23-10)9-22-14-5-3-4-12(17)15(14)18/h3-7,13H,2,8-9,19H2,1H3.
What are the key properties of ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate?
ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate has a molecular weight of 358.22 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate is sourced from PubChem (CID 170885417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).