tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate

C16H32N2O3 — CID 106707208

IUPACtert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate
SMILESCC(C)CC(CN(C)C)NC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(2)10-13(11-18(6)7)17-14(19)8-9-15(20)21-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,19)
InChIKeyGIVBLONRQASLDZ-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.20
Rot. Bonds8

About tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate

tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate (PubChem CID 106707208) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate
PubChem CID106707208
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate
SMILESCC(C)CC(CN(C)C)NC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(2)10-13(11-18(6)7)17-14(19)8-9-15(20)21-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,19)
InChIKeyGIVBLONRQASLDZ-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 43695730
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4,4-dimethylhexanamide
CID 65290403
tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate
CID 115614536
tert-butyl 4-methylpentanoate
CID 14724205
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
CID 115590841
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963779
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 106707688
tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate (CID 106707208) is tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate is CC(C)CC(CN(C)C)NC(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate?
The InChIKey is GIVBLONRQASLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(2)10-13(11-18(6)7)17-14(19)8-9-15(20)21-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,19).
What are the key properties of tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate?
tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate has a molecular weight of 300.44 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 106707208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).