2-[1-aminoethoxy(ethenyl)amino]acetic acid

C6H12N2O3 — CID 19380900

IUPAC2-[1-aminoethoxy(ethenyl)amino]acetic acid
SMILESC=CN(CC(=O)O)OC(C)N
InChIInChI=1S/C6H12N2O3/c1-3-8(4-6(9)10)11-5(2)7/h3,5H,1,4,7H2,2H3,(H,9,10)
InChIKeyYKBPRKOYVMZYNT-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.25
Rot. Bonds5

About 2-[1-aminoethoxy(ethenyl)amino]acetic acid

2-[1-aminoethoxy(ethenyl)amino]acetic acid (PubChem CID 19380900) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[1-aminoethoxy(ethenyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-aminoethoxy(ethenyl)amino]acetic acid
PubChem CID19380900
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-[1-aminoethoxy(ethenyl)amino]acetic acid
SMILESC=CN(CC(=O)O)OC(C)N
InChIInChI=1S/C6H12N2O3/c1-3-8(4-6(9)10)11-5(2)7/h3,5H,1,4,7H2,2H3,(H,9,10)
InChIKeyYKBPRKOYVMZYNT-UHFFFAOYSA-N
XLogP-0.25
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[1-aminoethoxy(ethenyl)amino]acetic acid?
The IUPAC name of 2-[1-aminoethoxy(ethenyl)amino]acetic acid (CID 19380900) is 2-[1-aminoethoxy(ethenyl)amino]acetic acid.
What is the SMILES notation for 2-[1-aminoethoxy(ethenyl)amino]acetic acid?
The canonical SMILES for 2-[1-aminoethoxy(ethenyl)amino]acetic acid is C=CN(CC(=O)O)OC(C)N.
What is the InChIKey of 2-[1-aminoethoxy(ethenyl)amino]acetic acid?
The InChIKey is YKBPRKOYVMZYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-8(4-6(9)10)11-5(2)7/h3,5H,1,4,7H2,2H3,(H,9,10).
What are the key properties of 2-[1-aminoethoxy(ethenyl)amino]acetic acid?
2-[1-aminoethoxy(ethenyl)amino]acetic acid has a molecular weight of 160.17 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-[1-aminoethoxy(ethenyl)amino]acetic acid is sourced from PubChem (CID 19380900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).