methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate

C14H29NO4 — CID 60902673

IUPACmethyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
SMILESCCCCC(CC)COCC(O)CNCC(=O)OC
InChIInChI=1S/C14H29NO4/c1-4-6-7-12(5-2)10-19-11-13(16)8-15-9-14(17)18-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyRRKKNDCLPMYAME-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.34
Rot. Bonds12

About methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate

methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate (PubChem CID 60902673) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
PubChem CID60902673
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Namemethyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
SMILESCCCCC(CC)COCC(O)CNCC(=O)OC
InChIInChI=1S/C14H29NO4/c1-4-6-7-12(5-2)10-19-11-13(16)8-15-9-14(17)18-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyRRKKNDCLPMYAME-UHFFFAOYSA-N
XLogP1.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
CID 88753128
CID 88753128
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
CID 54938909
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464333
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate (CID 60902673) is methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate is CCCCC(CC)COCC(O)CNCC(=O)OC.
What is the InChIKey of methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate?
The InChIKey is RRKKNDCLPMYAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-4-6-7-12(5-2)10-19-11-13(16)8-15-9-14(17)18-3/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate?
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate has a molecular weight of 275.39 g/mol, XLogP of 1.34, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate is sourced from PubChem (CID 60902673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).