tert-butyl 4-(dimethylamino)-4-oxobutanoate

C10H19NO3 — CID 106706987

IUPACtert-butyl 4-(dimethylamino)-4-oxobutanoate
SMILESCN(C)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-6-8(12)11(4)5/h6-7H2,1-5H3
InChIKeyPOKOKJCCDPKYEG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.20
Rot. Bonds3

About tert-butyl 4-(dimethylamino)-4-oxobutanoate

tert-butyl 4-(dimethylamino)-4-oxobutanoate (PubChem CID 106706987) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 4-(dimethylamino)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(dimethylamino)-4-oxobutanoate
PubChem CID106706987
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 4-(dimethylamino)-4-oxobutanoate
SMILESCN(C)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-6-8(12)11(4)5/h6-7H2,1-5H3
InChIKeyPOKOKJCCDPKYEG-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(dimethylamino)-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 5-(dimethylamino)-4,5-dioxopentanoate
CID 158207133
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
CID 106707073
ditert-butyl pentanedioate
CID 3016405
tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
CID 106707461
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106812542
tert-butyl 4-[cyclopropyl(cyclopropylmethyl)amino]-4-oxobutanoate
CID 106707495
chloromethyl 4-(dimethylamino)-4-oxobutanoate
CID 19735984
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(dimethylamino)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(dimethylamino)-4-oxobutanoate (CID 106706987) is tert-butyl 4-(dimethylamino)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(dimethylamino)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(dimethylamino)-4-oxobutanoate is CN(C)C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(dimethylamino)-4-oxobutanoate?
The InChIKey is POKOKJCCDPKYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-6-8(12)11(4)5/h6-7H2,1-5H3.
What are the key properties of tert-butyl 4-(dimethylamino)-4-oxobutanoate?
tert-butyl 4-(dimethylamino)-4-oxobutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylamino)-4-oxobutanoate is sourced from PubChem (CID 106706987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).