tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate

C11H21NO4 — CID 106707073

IUPACtert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
SMILESCN(CCO)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)6-5-9(14)12(4)7-8-13/h13H,5-8H2,1-4H3
InChIKeyWBNNLAXQFCOPFG-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.56
Rot. Bonds5

About tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate

tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate (PubChem CID 106707073) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
PubChem CID106707073
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
SMILESCN(CCO)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)6-5-9(14)12(4)7-8-13/h13H,5-8H2,1-4H3
InChIKeyWBNNLAXQFCOPFG-UHFFFAOYSA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate 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

tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
CID 106707461
tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106812542
tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
CID 115685980
tert-butyl 5-(dimethylamino)-4,5-dioxopentanoate
CID 158207133
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116
(3-acetyloxy-2-hydroxypropyl) 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
CID 158646563
tert-butyl 3-[2-[2-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 137334038
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl 4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobutanoate
CID 106707109
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate (CID 106707073) is tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate is CN(CCO)C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate?
The InChIKey is WBNNLAXQFCOPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)6-5-9(14)12(4)7-8-13/h13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate?
tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate has a molecular weight of 231.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate is sourced from PubChem (CID 106707073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).