tert-butyl 2-(prop-2-enylamino)acetate

C9H17NO2 — CID 19959470

IUPACtert-butyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-6-10-7-8(11)12-9(2,3)4/h5,10H,1,6-7H2,2-4H3
InChIKeyOWIAOVJYDJHXCP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds4

About tert-butyl 2-(prop-2-enylamino)acetate

tert-butyl 2-(prop-2-enylamino)acetate (PubChem CID 19959470) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(prop-2-enylamino)acetate
PubChem CID19959470
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-6-10-7-8(11)12-9(2,3)4/h5,10H,1,6-7H2,2-4H3
InChIKeyOWIAOVJYDJHXCP-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
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 2-(prop-2-enylamino)acetate?
The IUPAC name of tert-butyl 2-(prop-2-enylamino)acetate (CID 19959470) is tert-butyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for tert-butyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for tert-butyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(prop-2-enylamino)acetate?
The InChIKey is OWIAOVJYDJHXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-10-7-8(11)12-9(2,3)4/h5,10H,1,6-7H2,2-4H3.
What are the key properties of tert-butyl 2-(prop-2-enylamino)acetate?
tert-butyl 2-(prop-2-enylamino)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 19959470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).