[2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate

C10H16N2O3 — CID 22377220

IUPAC[2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OC(=O)CNCC=C
InChIInChI=1S/C10H16N2O3/c1-3-5-11-7-9(13)15-10(14)8-12-6-4-2/h3-4,11-12H,1-2,5-8H2
InChIKeyVZTZVPSBMFENMS-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.39
Rot. Bonds8

About [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate

[2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate (PubChem CID 22377220) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Name[2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate
PubChem CID22377220
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name[2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OC(=O)CNCC=C
InChIInChI=1S/C10H16N2O3/c1-3-5-11-7-9(13)15-10(14)8-12-6-4-2/h3-4,11-12H,1-2,5-8H2
InChIKeyVZTZVPSBMFENMS-UHFFFAOYSA-N
XLogP-0.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate?
The IUPAC name of [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate (CID 22377220) is [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate.
What is the SMILES notation for [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate?
The canonical SMILES for [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OC(=O)CNCC=C.
What is the InChIKey of [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate?
The InChIKey is VZTZVPSBMFENMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-11-7-9(13)15-10(14)8-12-6-4-2/h3-4,11-12H,1-2,5-8H2.
What are the key properties of [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate?
[2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate has a molecular weight of 212.25 g/mol, XLogP of -0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(prop-2-enylamino)acetyl] 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 22377220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).