ethyl 3-(tert-butylamino)propanoate

C9H19NO2 — CID 3804063

IUPACethyl 3-(tert-butylamino)propanoate
SMILESCCOC(=O)CCNC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-12-8(11)6-7-10-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyMRBYLBKVCAGYBL-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds4

About ethyl 3-(tert-butylamino)propanoate

ethyl 3-(tert-butylamino)propanoate (PubChem CID 3804063) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 3-(tert-butylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(tert-butylamino)propanoate
PubChem CID3804063
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 3-(tert-butylamino)propanoate
SMILESCCOC(=O)CCNC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-12-8(11)6-7-10-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyMRBYLBKVCAGYBL-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(tert-butylamino)propanoate?
The IUPAC name of ethyl 3-(tert-butylamino)propanoate (CID 3804063) is ethyl 3-(tert-butylamino)propanoate.
What is the SMILES notation for ethyl 3-(tert-butylamino)propanoate?
The canonical SMILES for ethyl 3-(tert-butylamino)propanoate is CCOC(=O)CCNC(C)(C)C.
What is the InChIKey of ethyl 3-(tert-butylamino)propanoate?
The InChIKey is MRBYLBKVCAGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-12-8(11)6-7-10-9(2,3)4/h10H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(tert-butylamino)propanoate?
ethyl 3-(tert-butylamino)propanoate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(tert-butylamino)propanoate is sourced from PubChem (CID 3804063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).