tert-butyl 3-(propanoylamino)propanoate

C10H19NO3 — CID 58935400

IUPACtert-butyl 3-(propanoylamino)propanoate
SMILESCCC(=O)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)11-7-6-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyRUVUNCSREZTAFF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl 3-(propanoylamino)propanoate

tert-butyl 3-(propanoylamino)propanoate (PubChem CID 58935400) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 3-(propanoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(propanoylamino)propanoate
PubChem CID58935400
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 3-(propanoylamino)propanoate
SMILESCCC(=O)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)11-7-6-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyRUVUNCSREZTAFF-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(propanoylamino)propanoate?
The IUPAC name of tert-butyl 3-(propanoylamino)propanoate (CID 58935400) is tert-butyl 3-(propanoylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(propanoylamino)propanoate?
The canonical SMILES for tert-butyl 3-(propanoylamino)propanoate is CCC(=O)NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(propanoylamino)propanoate?
The InChIKey is RUVUNCSREZTAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-8(12)11-7-6-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl 3-(propanoylamino)propanoate?
tert-butyl 3-(propanoylamino)propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(propanoylamino)propanoate is sourced from PubChem (CID 58935400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).