methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate

C13H19NO5 — CID 60904602

IUPACmethyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C13H19NO5/c1-17-11-3-5-12(6-4-11)19-9-10(15)7-14-8-13(16)18-2/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyVQRQSCGAYATGEX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.20
Rot. Bonds8

About methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate

methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate (PubChem CID 60904602) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
PubChem CID60904602
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
SMILESCOC(=O)CNCC(O)COc1ccc(OC)cc1
InChIInChI=1S/C13H19NO5/c1-17-11-3-5-12(6-4-11)19-9-10(15)7-14-8-13(16)18-2/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyVQRQSCGAYATGEX-UHFFFAOYSA-N
XLogP0.20
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
CID 60904477
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(but-2-ynylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 113464600
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 79108175

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate?
The IUPAC name of methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate (CID 60904602) is methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate is COC(=O)CNCC(O)COc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate?
The InChIKey is VQRQSCGAYATGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-17-11-3-5-12(6-4-11)19-9-10(15)7-14-8-13(16)18-2/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate?
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate has a molecular weight of 269.30 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate is sourced from PubChem (CID 60904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).