tert-butyl 5-(ethylamino)-5-oxopentanoate

C11H21NO3 — CID 145414661

IUPACtert-butyl 5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-12-9(13)7-6-8-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyBJJNRDQZVQRTSO-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.63
Rot. Bonds5

About tert-butyl 5-(ethylamino)-5-oxopentanoate

tert-butyl 5-(ethylamino)-5-oxopentanoate (PubChem CID 145414661) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 5-(ethylamino)-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-(ethylamino)-5-oxopentanoate
PubChem CID145414661
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-12-9(13)7-6-8-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeyBJJNRDQZVQRTSO-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
ditert-butyl pentanedioate
CID 3016405
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl 3-(hexanoylamino)propanoate
CID 23084068
tert-butyl 5-oxo-5-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]pentanoate
CID 156645994
N,N'-diethylnonanediamide
CID 89048639
tert-butyl octacosanoate
CID 174872722
tert-butyl pentanoate;hydrazine
CID 174371267
N-ethyl-5,5-dimethylhexanamide
CID 121264886
tert-butyl 5-[[(Z)-4-(methylamino)-3-(methylideneamino)but-3-enyl]amino]-5-oxopentanoate
CID 129310317
tert-butyl dodecanoate;hydrate
CID 159574999
tert-butyl decanoate;hydrochloride
CID 172828660

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(ethylamino)-5-oxopentanoate?
The IUPAC name of tert-butyl 5-(ethylamino)-5-oxopentanoate (CID 145414661) is tert-butyl 5-(ethylamino)-5-oxopentanoate.
What is the SMILES notation for tert-butyl 5-(ethylamino)-5-oxopentanoate?
The canonical SMILES for tert-butyl 5-(ethylamino)-5-oxopentanoate is CCNC(=O)CCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-(ethylamino)-5-oxopentanoate?
The InChIKey is BJJNRDQZVQRTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-12-9(13)7-6-8-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl 5-(ethylamino)-5-oxopentanoate?
tert-butyl 5-(ethylamino)-5-oxopentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(ethylamino)-5-oxopentanoate is sourced from PubChem (CID 145414661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).