2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid

C11H20N2O3 — CID 43442339

IUPAC2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESC=C(C)CN(CC)C(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(6-9(2)3)10(14)7-12(4)8-11(15)16/h2,5-8H2,1,3-4H3,(H,15,16)
InChIKeyQLNVDQOMAJQESQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.43
Rot. Bonds7

About 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid

2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442339) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442339
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESC=C(C)CN(CC)C(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(6-9(2)3)10(14)7-12(4)8-11(15)16/h2,5-8H2,1,3-4H3,(H,15,16)
InChIKeyQLNVDQOMAJQESQ-UHFFFAOYSA-N
XLogP0.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442339) is 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid is C=C(C)CN(CC)C(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is QLNVDQOMAJQESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-13(6-9(2)3)10(14)7-12(4)8-11(15)16/h2,5-8H2,1,3-4H3,(H,15,16).
What are the key properties of 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).