tert-butyl 2-(2-methylpropanoylamino)propanoate

C11H21NO3 — CID 76825480

IUPACtert-butyl 2-(2-methylpropanoylamino)propanoate
SMILESCC(C)C(=O)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(13)12-8(3)10(14)15-11(4,5)6/h7-8H,1-6H3,(H,12,13)
InChIKeyOLUCEDQINWGPKT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl 2-(2-methylpropanoylamino)propanoate

tert-butyl 2-(2-methylpropanoylamino)propanoate (PubChem CID 76825480) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropanoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropanoylamino)propanoate
PubChem CID76825480
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-(2-methylpropanoylamino)propanoate
SMILESCC(C)C(=O)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(13)12-8(3)10(14)15-11(4,5)6/h7-8H,1-6H3,(H,12,13)
InChIKeyOLUCEDQINWGPKT-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
tert-butyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl (2S)-2-[[(2S)-2-[[(2S,3S)-2,3-diamino-4-[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoate
CID 155444698
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
CID 103310505
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl (2S)-2-[[(2S)-2-[(2-hydroxyacetyl)amino]propanoyl]amino]propanoate
CID 87732284
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
CID 81004307
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888
tert-butyl (2S)-2-[[(2S)-2-amino-5,5-dimethylhexanoyl]amino]propanoate
CID 166567820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylpropanoylamino)propanoate?
The IUPAC name of tert-butyl 2-(2-methylpropanoylamino)propanoate (CID 76825480) is tert-butyl 2-(2-methylpropanoylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(2-methylpropanoylamino)propanoate?
The canonical SMILES for tert-butyl 2-(2-methylpropanoylamino)propanoate is CC(C)C(=O)NC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylpropanoylamino)propanoate?
The InChIKey is OLUCEDQINWGPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)9(13)12-8(3)10(14)15-11(4,5)6/h7-8H,1-6H3,(H,12,13).
What are the key properties of tert-butyl 2-(2-methylpropanoylamino)propanoate?
tert-butyl 2-(2-methylpropanoylamino)propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropanoylamino)propanoate is sourced from PubChem (CID 76825480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).