tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate

C12H23NO3 — CID 81004146

IUPACtert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8(9(14)16-12(5,6)7)13-10(15)11(2,3)4/h8H,1-7H3,(H,13,15)/t8-/m1/s1
InChIKeyJCMVCSNBWNXSMZ-MRVPVSSYSA-N
MW229.32 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate

tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 81004146) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID81004146
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8(9(14)16-12(5,6)7)13-10(15)11(2,3)4/h8H,1-7H3,(H,13,15)/t8-/m1/s1
InChIKeyJCMVCSNBWNXSMZ-MRVPVSSYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate
CID 80998758
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888
2,2-dimethyl-N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]propanamide
CID 82724608
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 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
CID 103310505

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate (CID 81004146) is tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate is C[C@@H](NC(=O)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is JCMVCSNBWNXSMZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(9(14)16-12(5,6)7)13-10(15)11(2,3)4/h8H,1-7H3,(H,13,15)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate?
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 81004146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).