tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate

C15H28N2O4 — CID 80998758

IUPACtert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate
SMILESC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-10(12(19)21-15(5,6)7)17-11(18)8-9-16-13(20)14(2,3)4/h10H,8-9H2,1-7H3,(H,16,20)(H,17,18)/t10-/m1/s1
InChIKeyHZLPVRBVKFJYLD-SNVBAGLBSA-N
MW300.40 g/mol
LogP1.39
Rot. Bonds5

About tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate

tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate (PubChem CID 80998758) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate
PubChem CID80998758
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate
SMILESC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-10(12(19)21-15(5,6)7)17-11(18)8-9-16-13(20)14(2,3)4/h10H,8-9H2,1-7H3,(H,16,20)(H,17,18)/t10-/m1/s1
InChIKeyHZLPVRBVKFJYLD-SNVBAGLBSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 173365471
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
CID 108537243
tert-butyl (2R)-2-(nonanoylamino)propanoate
CID 81004296
tert-butyl (2R)-2-(4-methoxybutanoylamino)propanoate
CID 81003909
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
tert-butyl (2S)-2-[[(2S)-2-[(2-hydroxyacetyl)amino]propanoyl]amino]propanoate
CID 87732284
tert-butyl (2S)-2-(hept-6-ynoylamino)propanoate
CID 113349823
tert-butyl (2S)-2-(3-acetamidopropanoylamino)-3-methylbutanoate
CID 80707260
tert-butyl (2S)-2-[[(2S)-2-(6-oxohexanoylamino)propanoyl]amino]propanoate
CID 130342884
tert-butyl (2R)-2-(3,4,4-trimethylpentanoylamino)propanoate
CID 81003612

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate (CID 80998758) is tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate is C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate?
The InChIKey is HZLPVRBVKFJYLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(12(19)21-15(5,6)7)17-11(18)8-9-16-13(20)14(2,3)4/h10H,8-9H2,1-7H3,(H,16,20)(H,17,18)/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate?
tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate has a molecular weight of 300.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate is sourced from PubChem (CID 80998758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).