tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate

C15H28N2O5 — CID 173365471

IUPACtert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
SMILESCC(NC(=O)CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O5/c1-10(12(19)21-14(2,3)4)17-11(18)8-9-16-13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,16,20)(H,17,18)
InChIKeyANPIRBCCJLKLTI-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate

tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate (PubChem CID 173365471) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
PubChem CID173365471
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Nametert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
SMILESCC(NC(=O)CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O5/c1-10(12(19)21-14(2,3)4)17-11(18)8-9-16-13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,16,20)(H,17,18)
InChIKeyANPIRBCCJLKLTI-UHFFFAOYSA-N
XLogP1.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate
CID 80998758
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
tert-butyl N-[3-oxo-3-(1,2,2-trifluoroethylamino)propyl]carbamate
CID 175576585
tert-butyl (2R)-2-(nonanoylamino)propanoate
CID 81004296
tert-butyl (2R)-2-(4-methoxybutanoylamino)propanoate
CID 81003909
tert-butyl (2S)-2-[[(2S)-2-[(2-hydroxyacetyl)amino]propanoyl]amino]propanoate
CID 87732284
tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
CID 139351800
3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 174909049
tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
tert-butyl (2S)-2-(hept-6-ynoylamino)propanoate
CID 113349823
tert-butyl (2S)-2-(3-acetamidopropanoylamino)-3-methylbutanoate
CID 80707260

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?
The IUPAC name of tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate (CID 173365471) is tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?
The canonical SMILES for tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate is CC(NC(=O)CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?
The InChIKey is ANPIRBCCJLKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-10(12(19)21-14(2,3)4)17-11(18)8-9-16-13(20)22-15(5,6)7/h10H,8-9H2,1-7H3,(H,16,20)(H,17,18).
What are the key properties of tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate?
tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate has a molecular weight of 316.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate is sourced from PubChem (CID 173365471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).