methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate

C10H11Cl2NO3 — CID 116820903

IUPACmethyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
SMILESCOC(=O)C(N)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-15-10(14)8(13)5-16-9-4-6(11)2-3-7(9)12/h2-4,8H,5,13H2,1H3
InChIKeyFVRDAEWOFSKGPZ-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.87
Rot. Bonds4

About methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate

methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate (PubChem CID 116820903) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
PubChem CID116820903
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Namemethyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
SMILESCOC(=O)C(N)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-15-10(14)8(13)5-16-9-4-6(11)2-3-7(9)12/h2-4,8H,5,13H2,1H3
InChIKeyFVRDAEWOFSKGPZ-UHFFFAOYSA-N
XLogP1.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
4-(2,5-dichlorophenoxy)-3-methylbutanoic acid
CID 82091057
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
methyl N-(2,5-dichlorophenoxy)carbamate
CID 14391361
N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725545
N-[4-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725544
ethyl 2-amino-3-(2-chloro-5-nitrophenoxy)propanoate
CID 63992197

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate?
The IUPAC name of methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate (CID 116820903) is methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate?
The canonical SMILES for methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate is COC(=O)C(N)COc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate?
The InChIKey is FVRDAEWOFSKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-15-10(14)8(13)5-16-9-4-6(11)2-3-7(9)12/h2-4,8H,5,13H2,1H3.
What are the key properties of methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate?
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate has a molecular weight of 264.11 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate is sourced from PubChem (CID 116820903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).