tert-butyl 4-(ethylamino)-4-oxobutanoate

C10H19NO3 — CID 106706793

IUPACtert-butyl 4-(ethylamino)-4-oxobutanoate
SMILESCCNC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-11-8(12)6-7-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyIXLYDSKHUIFOJU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds4

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

tert-butyl 4-(ethylamino)-4-oxobutanoate (PubChem CID 106706793) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 4-(ethylamino)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(ethylamino)-4-oxobutanoate
PubChem CID106706793
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 4-(ethylamino)-4-oxobutanoate
SMILESCCNC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-11-8(12)6-7-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyIXLYDSKHUIFOJU-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(ethylamino)-5-oxopentanoate
CID 145414661
tert-butyl 4-[[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707309
tert-butyl 4-(2,2-difluoroethylamino)-4-oxobutanoate
CID 106707626
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
tert-butyl 3-(hexanoylamino)propanoate
CID 23084068
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
tert-butyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 106706933
ditert-butyl pentanedioate
CID 3016405
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl 4-oxo-4-(2-prop-2-enoxypropylamino)butanoate
CID 114264028
tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate
CID 106812233

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(ethylamino)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(ethylamino)-4-oxobutanoate (CID 106706793) is tert-butyl 4-(ethylamino)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(ethylamino)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(ethylamino)-4-oxobutanoate is CCNC(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(ethylamino)-4-oxobutanoate?
The InChIKey is IXLYDSKHUIFOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11-8(12)6-7-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl 4-(ethylamino)-4-oxobutanoate?
tert-butyl 4-(ethylamino)-4-oxobutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(ethylamino)-4-oxobutanoate is sourced from PubChem (CID 106706793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).