diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate

C15H27NO5 — CID 10870349

IUPACdiethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-8-20-11(17)10(12(18)21-9-2)15(6,7)13(19)16-14(3,4)5/h10H,8-9H2,1-7H3,(H,16,19)
InChIKeyZUQBCSNUQPRROU-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.67
Rot. Bonds6

About diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate

diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate (PubChem CID 10870349) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate
PubChem CID10870349
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Namediethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-8-20-11(17)10(12(18)21-9-2)15(6,7)13(19)16-14(3,4)5/h10H,8-9H2,1-7H3,(H,16,19)
InChIKeyZUQBCSNUQPRROU-UHFFFAOYSA-N
XLogP1.67
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
ethyl 3,3-dimethyl-2-(2,4,4-trimethylpentan-2-ylcarbamoyl)butanoate
CID 116537949
diethyl 2-(1,1-difluoro-2-methylpropan-2-yl)propanedioate
CID 129050677
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 115356417
ethyl 2-amino-3-(3-methylpentan-3-ylamino)-3-oxopropanoate
CID 106328522
diethyl 2-[(2-methoxy-2-methylpropanoyl)amino]propanedioate
CID 103021733
diethyl 2-(2,2-dimethylpropanoylamino)propanedioate
CID 43423034
acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate
CID 129050698
4-O-ethyl 1-O-methyl 3-ethyl-2,2-dimethylbutanedioate
CID 59124916
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl (2R)-2-amino-4,4,4-trifluoro-3-oxobutanoate
CID 124559893

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate?
The IUPAC name of diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate (CID 10870349) is diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate.
What is the SMILES notation for diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate?
The canonical SMILES for diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate is CCOC(=O)C(C(=O)OCC)C(C)(C)C(=O)NC(C)(C)C.
What is the InChIKey of diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate?
The InChIKey is ZUQBCSNUQPRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-8-20-11(17)10(12(18)21-9-2)15(6,7)13(19)16-14(3,4)5/h10H,8-9H2,1-7H3,(H,16,19).
What are the key properties of diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate?
diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate has a molecular weight of 301.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate is sourced from PubChem (CID 10870349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).