tert-butyl 3-(tert-butylamino)-2-methylpropanoate

C12H25NO2 — CID 46318602

IUPACtert-butyl 3-(tert-butylamino)-2-methylpropanoate
SMILESCC(CNC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(8-13-11(2,3)4)10(14)15-12(5,6)7/h9,13H,8H2,1-7H3
InChIKeyWTSKXLVCKPVEPI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl 3-(tert-butylamino)-2-methylpropanoate

tert-butyl 3-(tert-butylamino)-2-methylpropanoate (PubChem CID 46318602) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl 3-(tert-butylamino)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-(tert-butylamino)-2-methylpropanoate
PubChem CID46318602
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl 3-(tert-butylamino)-2-methylpropanoate
SMILESCC(CNC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(8-13-11(2,3)4)10(14)15-12(5,6)7/h9,13H,8H2,1-7H3
InChIKeyWTSKXLVCKPVEPI-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2,3-bis(tert-butylamino)propanoate
CID 3030822
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
tert-butyl (2S)-2-methyl-3-sulfanylpropanoate
CID 22860483
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
CID 118703214
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl 4-hydrazinyl-2-methylbutanoate;hydrochloride
CID 118703211
tert-butyl (2R)-2-methyl-3-(3-propan-2-yloxypropylamino)propanoate
CID 94133666
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
tert-butyl 2-methyl-5-(methylamino)pentanoate
CID 174255913
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(tert-butylamino)-2-methylpropanoate?
The IUPAC name of tert-butyl 3-(tert-butylamino)-2-methylpropanoate (CID 46318602) is tert-butyl 3-(tert-butylamino)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 3-(tert-butylamino)-2-methylpropanoate?
The canonical SMILES for tert-butyl 3-(tert-butylamino)-2-methylpropanoate is CC(CNC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(tert-butylamino)-2-methylpropanoate?
The InChIKey is WTSKXLVCKPVEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(8-13-11(2,3)4)10(14)15-12(5,6)7/h9,13H,8H2,1-7H3.
What are the key properties of tert-butyl 3-(tert-butylamino)-2-methylpropanoate?
tert-butyl 3-(tert-butylamino)-2-methylpropanoate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(tert-butylamino)-2-methylpropanoate is sourced from PubChem (CID 46318602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).