methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate

C12H15Cl2NO4 — CID 60649077

IUPACmethyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO4/c1-18-12(17)6-15-5-9(16)7-19-11-4-8(13)2-3-10(11)14/h2-4,9,15-16H,5-7H2,1H3
InChIKeyNGJUZNMILKOUKP-UHFFFAOYSA-N
MW308.16 g/mol
LogP1.50
Rot. Bonds7

About methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate

methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate (PubChem CID 60649077) has the molecular formula C12H15Cl2NO4 and a molecular weight of 308.16 g/mol. Its IUPAC name is methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
PubChem CID60649077
Molecular FormulaC12H15Cl2NO4
Molecular Weight308.16 g/mol
Exact Mass307.04
IUPAC Namemethyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO4/c1-18-12(17)6-15-5-9(16)7-19-11-4-8(13)2-3-10(11)14/h2-4,9,15-16H,5-7H2,1H3
InChIKeyNGJUZNMILKOUKP-UHFFFAOYSA-N
XLogP1.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909766
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 106190688
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633675
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate (CID 60649077) is methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate is COC(=O)CNCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate?
The InChIKey is NGJUZNMILKOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4/c1-18-12(17)6-15-5-9(16)7-19-11-4-8(13)2-3-10(11)14/h2-4,9,15-16H,5-7H2,1H3.
What are the key properties of methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate?
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate has a molecular weight of 308.16 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate is sourced from PubChem (CID 60649077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).