[2-(2-methylprop-2-enoylamino)ethylamino] acetate

C8H14N2O3 — CID 87672768

IUPAC[2-(2-methylprop-2-enoylamino)ethylamino] acetate
SMILESC=C(C)C(=O)NCCNOC(C)=O
InChIInChI=1S/C8H14N2O3/c1-6(2)8(12)9-4-5-10-13-7(3)11/h10H,1,4-5H2,2-3H3,(H,9,12)
InChIKeyQPCSRJKKDDSXTO-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.25
Rot. Bonds5

About [2-(2-methylprop-2-enoylamino)ethylamino] acetate

[2-(2-methylprop-2-enoylamino)ethylamino] acetate (PubChem CID 87672768) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoylamino)ethylamino] acetate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoylamino)ethylamino] acetate
PubChem CID87672768
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name[2-(2-methylprop-2-enoylamino)ethylamino] acetate
SMILESC=C(C)C(=O)NCCNOC(C)=O
InChIInChI=1S/C8H14N2O3/c1-6(2)8(12)9-4-5-10-13-7(3)11/h10H,1,4-5H2,2-3H3,(H,9,12)
InChIKeyQPCSRJKKDDSXTO-UHFFFAOYSA-N
XLogP-0.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoylamino)ethylamino] acetate?
The IUPAC name of [2-(2-methylprop-2-enoylamino)ethylamino] acetate (CID 87672768) is [2-(2-methylprop-2-enoylamino)ethylamino] acetate.
What is the SMILES notation for [2-(2-methylprop-2-enoylamino)ethylamino] acetate?
The canonical SMILES for [2-(2-methylprop-2-enoylamino)ethylamino] acetate is C=C(C)C(=O)NCCNOC(C)=O.
What is the InChIKey of [2-(2-methylprop-2-enoylamino)ethylamino] acetate?
The InChIKey is QPCSRJKKDDSXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(2)8(12)9-4-5-10-13-7(3)11/h10H,1,4-5H2,2-3H3,(H,9,12).
What are the key properties of [2-(2-methylprop-2-enoylamino)ethylamino] acetate?
[2-(2-methylprop-2-enoylamino)ethylamino] acetate has a molecular weight of 186.21 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoylamino)ethylamino] acetate is sourced from PubChem (CID 87672768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).