tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate

C14H26N2O4 — CID 106812542

IUPACtert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
SMILESCNC(=O)C(C)CN(C)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(13(19)15-5)9-16(6)11(17)7-8-12(18)20-14(2,3)4/h10H,7-9H2,1-6H3,(H,15,19)
InChIKeyUMHIOHDBSJCTCP-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.95
Rot. Bonds6

About tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate

tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate (PubChem CID 106812542) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
PubChem CID106812542
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
SMILESCNC(=O)C(C)CN(C)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(13(19)15-5)9-16(6)11(17)7-8-12(18)20-14(2,3)4/h10H,7-9H2,1-6H3,(H,15,19)
InChIKeyUMHIOHDBSJCTCP-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 103812844
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241
N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
CID 106707073
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
N,2-dimethyl-3-[methyl-[2-methyl-2-(methylamino)propanoyl]amino]propanamide
CID 106915340
3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915366
tert-butyl 4-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-oxobutanoate
CID 106707461
tert-butyl 4-methylpentanoate
CID 14724205

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate (CID 106812542) is tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate is CNC(=O)C(C)CN(C)C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate?
The InChIKey is UMHIOHDBSJCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(13(19)15-5)9-16(6)11(17)7-8-12(18)20-14(2,3)4/h10H,7-9H2,1-6H3,(H,15,19).
What are the key properties of tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate?
tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate has a molecular weight of 286.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate is sourced from PubChem (CID 106812542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).