tert-butyl 2-(prop-2-enoylamino)propanoate

C10H17NO3 — CID 139499061

IUPACtert-butyl 2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)11-7(2)9(13)14-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)
InChIKeyAUJXWPWUGONWBP-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds3

About tert-butyl 2-(prop-2-enoylamino)propanoate

tert-butyl 2-(prop-2-enoylamino)propanoate (PubChem CID 139499061) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl 2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(prop-2-enoylamino)propanoate
PubChem CID139499061
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl 2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)11-7(2)9(13)14-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)
InChIKeyAUJXWPWUGONWBP-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(prop-2-enoylamino)propanoate?
The IUPAC name of tert-butyl 2-(prop-2-enoylamino)propanoate (CID 139499061) is tert-butyl 2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(prop-2-enoylamino)propanoate?
The canonical SMILES for tert-butyl 2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(prop-2-enoylamino)propanoate?
The InChIKey is AUJXWPWUGONWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-8(12)11-7(2)9(13)14-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12).
What are the key properties of tert-butyl 2-(prop-2-enoylamino)propanoate?
tert-butyl 2-(prop-2-enoylamino)propanoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 3 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-enoylamino)propanoate is sourced from PubChem (CID 139499061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).