tert-butyl 3-(prop-2-enylamino)propanoate

C10H19NO2 — CID 46318511

IUPACtert-butyl 3-(prop-2-enylamino)propanoate
SMILESC=CCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-11-8-6-9(12)13-10(2,3)4/h5,11H,1,6-8H2,2-4H3
InChIKeyWJBSANWNJSURQN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About tert-butyl 3-(prop-2-enylamino)propanoate

tert-butyl 3-(prop-2-enylamino)propanoate (PubChem CID 46318511) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl 3-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(prop-2-enylamino)propanoate
PubChem CID46318511
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl 3-(prop-2-enylamino)propanoate
SMILESC=CCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-11-8-6-9(12)13-10(2,3)4/h5,11H,1,6-8H2,2-4H3
InChIKeyWJBSANWNJSURQN-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(prop-2-enylamino)propanoate?
The IUPAC name of tert-butyl 3-(prop-2-enylamino)propanoate (CID 46318511) is tert-butyl 3-(prop-2-enylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(prop-2-enylamino)propanoate?
The canonical SMILES for tert-butyl 3-(prop-2-enylamino)propanoate is C=CCNCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(prop-2-enylamino)propanoate?
The InChIKey is WJBSANWNJSURQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-11-8-6-9(12)13-10(2,3)4/h5,11H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl 3-(prop-2-enylamino)propanoate?
tert-butyl 3-(prop-2-enylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(prop-2-enylamino)propanoate is sourced from PubChem (CID 46318511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).