3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid

C11H23NO4 — CID 103489783

IUPAC3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
SMILESCCNC(C)(COC(C)COCC)C(=O)O
InChIInChI=1S/C11H23NO4/c1-5-12-11(4,10(13)14)8-16-9(3)7-15-6-2/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyZRTJFIOUKRPVKO-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.88
Rot. Bonds9

About 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid

3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid (PubChem CID 103489783) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
PubChem CID103489783
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
SMILESCCNC(C)(COC(C)COCC)C(=O)O
InChIInChI=1S/C11H23NO4/c1-5-12-11(4,10(13)14)8-16-9(3)7-15-6-2/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyZRTJFIOUKRPVKO-UHFFFAOYSA-N
XLogP0.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778
4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid
CID 103490852
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
CID 102984225
4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
2-(ethylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277020
methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
CID 103489799
2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82958128
2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
CID 107771793

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid (CID 103489783) is 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid is CCNC(C)(COC(C)COCC)C(=O)O.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid?
The InChIKey is ZRTJFIOUKRPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-12-11(4,10(13)14)8-16-9(3)7-15-6-2/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid?
3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid has a molecular weight of 233.31 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 103489783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).