methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate

C12H25NO4 — CID 63934425

IUPACmethyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate
SMILESCCOCC(O)CNC(CC(C)C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-5-17-8-10(14)7-13-11(6-9(2)3)12(15)16-4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyXRNYOZAAELTQCH-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.56
Rot. Bonds9

About methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate

methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate (PubChem CID 63934425) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate
PubChem CID63934425
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Namemethyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate
SMILESCCOCC(O)CNC(CC(C)C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-5-17-8-10(14)7-13-11(6-9(2)3)12(15)16-4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyXRNYOZAAELTQCH-UHFFFAOYSA-N
XLogP0.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentanoate
CID 63900664
2-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutan-1-ol
CID 79250118
methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 54939870
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
2-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]methyl]prop-2-enoic acid
CID 103245766
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
methyl 2-[[(E)-4-ethoxy-4-oxobut-2-enyl]amino]-4-methylpentanoate
CID 80547759
methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
CID 54940277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate (CID 63934425) is methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate is CCOCC(O)CNC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate?
The InChIKey is XRNYOZAAELTQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-5-17-8-10(14)7-13-11(6-9(2)3)12(15)16-4/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate?
methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate has a molecular weight of 247.33 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate is sourced from PubChem (CID 63934425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).