tert-butyl 4-(diethylamino)butanoate

C12H25NO2 — CID 122660980

IUPACtert-butyl 4-(diethylamino)butanoate
SMILESCCN(CC)CCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-13(7-2)10-8-9-11(14)15-12(3,4)5/h6-10H2,1-5H3
InChIKeyBTAFJPSBYBDLLM-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.45
Rot. Bonds6

About tert-butyl 4-(diethylamino)butanoate

tert-butyl 4-(diethylamino)butanoate (PubChem CID 122660980) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl 4-(diethylamino)butanoate.

Molecular Properties

Compound Nametert-butyl 4-(diethylamino)butanoate
PubChem CID122660980
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl 4-(diethylamino)butanoate
SMILESCCN(CC)CCCC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-13(7-2)10-8-9-11(14)15-12(3,4)5/h6-10H2,1-5H3
InChIKeyBTAFJPSBYBDLLM-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
CID 94133522
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl octacosanoate
CID 174872722
tert-butyl pentanoate;hydrazine
CID 174371267
tert-butyl 3-[2-cyanoethyl(ethyl)amino]propanoate
CID 115669561
butane;tert-butyl nonanoate
CID 175191905
tert-butyl decanoate;hydrobromide
CID 172791977
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl dodecanoate;hydrate
CID 159574999
pentyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]butanoate
CID 129286608

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(diethylamino)butanoate?
The IUPAC name of tert-butyl 4-(diethylamino)butanoate (CID 122660980) is tert-butyl 4-(diethylamino)butanoate.
What is the SMILES notation for tert-butyl 4-(diethylamino)butanoate?
The canonical SMILES for tert-butyl 4-(diethylamino)butanoate is CCN(CC)CCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(diethylamino)butanoate?
The InChIKey is BTAFJPSBYBDLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-13(7-2)10-8-9-11(14)15-12(3,4)5/h6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(diethylamino)butanoate?
tert-butyl 4-(diethylamino)butanoate has a molecular weight of 215.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(diethylamino)butanoate is sourced from PubChem (CID 122660980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).