tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate

C14H29NO2 — CID 102670947

IUPACtert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
SMILESCC(NCC(C)(C)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)14(7,8)9-15-11(3)12(16)17-13(4,5)6/h10-11,15H,9H2,1-8H3
InChIKeyUQAJUAFDMGBFDM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate

tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate (PubChem CID 102670947) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
PubChem CID102670947
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nametert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
SMILESCC(NCC(C)(C)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)14(7,8)9-15-11(3)12(16)17-13(4,5)6/h10-11,15H,9H2,1-8H3
InChIKeyUQAJUAFDMGBFDM-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
CID 66337597
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 64687542
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
tert-butyl 2-(3-methylsulfanylpropylamino)propanoate
CID 64687943
methyl 2-(2,2,3-trimethylbutylamino)butanoate
CID 107302680
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
CID 70950358

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate?
The IUPAC name of tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate (CID 102670947) is tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate?
The canonical SMILES for tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate is CC(NCC(C)(C)C(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate?
The InChIKey is UQAJUAFDMGBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)14(7,8)9-15-11(3)12(16)17-13(4,5)6/h10-11,15H,9H2,1-8H3.
What are the key properties of tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate?
tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate has a molecular weight of 243.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate is sourced from PubChem (CID 102670947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).