tert-butyl 3-(3-methoxypropylamino)propanoate

C11H23NO3 — CID 42656853

IUPACtert-butyl 3-(3-methoxypropylamino)propanoate
SMILESCOCCCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(13)6-8-12-7-5-9-14-4/h12H,5-9H2,1-4H3
InChIKeyPSPJFWWDBUNXOF-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds7

About tert-butyl 3-(3-methoxypropylamino)propanoate

tert-butyl 3-(3-methoxypropylamino)propanoate (PubChem CID 42656853) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl 3-(3-methoxypropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(3-methoxypropylamino)propanoate
PubChem CID42656853
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl 3-(3-methoxypropylamino)propanoate
SMILESCOCCCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(13)6-8-12-7-5-9-14-4/h12H,5-9H2,1-4H3
InChIKeyPSPJFWWDBUNXOF-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxypropylamino)propanoate?
The IUPAC name of tert-butyl 3-(3-methoxypropylamino)propanoate (CID 42656853) is tert-butyl 3-(3-methoxypropylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(3-methoxypropylamino)propanoate?
The canonical SMILES for tert-butyl 3-(3-methoxypropylamino)propanoate is COCCCNCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(3-methoxypropylamino)propanoate?
The InChIKey is PSPJFWWDBUNXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)15-10(13)6-8-12-7-5-9-14-4/h12H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(3-methoxypropylamino)propanoate?
tert-butyl 3-(3-methoxypropylamino)propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-methoxypropylamino)propanoate is sourced from PubChem (CID 42656853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).