[2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate

C10H16N2O4 — CID 21107857

IUPAC[2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate
SMILESC=C(C)C(=O)N(CCNOC(C)=O)C(C)=O
InChIInChI=1S/C10H16N2O4/c1-7(2)10(15)12(8(3)13)6-5-11-16-9(4)14/h11H,1,5-6H2,2-4H3
InChIKeyRYCBOAUUUVWFEI-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.01
Rot. Bonds5

About [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate

[2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate (PubChem CID 21107857) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate.

Molecular Properties

Compound Name[2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate
PubChem CID21107857
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name[2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate
SMILESC=C(C)C(=O)N(CCNOC(C)=O)C(C)=O
InChIInChI=1S/C10H16N2O4/c1-7(2)10(15)12(8(3)13)6-5-11-16-9(4)14/h11H,1,5-6H2,2-4H3
InChIKeyRYCBOAUUUVWFEI-UHFFFAOYSA-N
XLogP0.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N,N-bis methacryloyl ethylenediamine
CID 22610645
acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide
CID 19969290
[2-[Acetyl(prop-2-enoyl)amino]ethylamino] acetate
CID 21107856
N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide
CID 23369212
3-[Dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate
CID 87122114
[2-(2-Methylprop-2-enoylamino)ethylamino] acetate
CID 87672768
Ethyl-hydroxy-methyl-[4-(2-methylprop-2-enoylamino)butyl]azanium acetate
CID 88337753
2-[Methyl-bis[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate
CID 117720500
Dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-prop-2-enoyloxyazanium
CID 118143542
acetic acid;N,2-dimethyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 122611801
2-Aminoethyl-dimethyl-(2-methylprop-2-enoyl)azanium acetate
CID 139836408
[2-Acetamidoethyl(3-methylbutanoyl)amino] 2-methylprop-2-enoate
CID 139977047

Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate?
The IUPAC name of [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate (CID 21107857) is [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate.
What is the SMILES notation for [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate?
The canonical SMILES for [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate is C=C(C)C(=O)N(CCNOC(C)=O)C(C)=O.
What is the InChIKey of [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate?
The InChIKey is RYCBOAUUUVWFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(2)10(15)12(8(3)13)6-5-11-16-9(4)14/h11H,1,5-6H2,2-4H3.
What are the key properties of [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate?
[2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate has a molecular weight of 228.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(2-methylprop-2-enoyl)amino]ethylamino] acetate is sourced from PubChem (CID 21107857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).