tert-butyl 3-(butylamino)propanoate

C11H23NO2 — CID 14112938

IUPACtert-butyl 3-(butylamino)propanoate
SMILESCCCCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-6-8-12-9-7-10(13)14-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyNIYLFPXKKQMEIR-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds6

About tert-butyl 3-(butylamino)propanoate

tert-butyl 3-(butylamino)propanoate (PubChem CID 14112938) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 3-(butylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(butylamino)propanoate
PubChem CID14112938
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 3-(butylamino)propanoate
SMILESCCCCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-6-8-12-9-7-10(13)14-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyNIYLFPXKKQMEIR-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(butylamino)propanoate?
The IUPAC name of tert-butyl 3-(butylamino)propanoate (CID 14112938) is tert-butyl 3-(butylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(butylamino)propanoate?
The canonical SMILES for tert-butyl 3-(butylamino)propanoate is CCCCNCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(butylamino)propanoate?
The InChIKey is NIYLFPXKKQMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-8-12-9-7-10(13)14-11(2,3)4/h12H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(butylamino)propanoate?
tert-butyl 3-(butylamino)propanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(butylamino)propanoate is sourced from PubChem (CID 14112938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).