2-[1-(1-aminoethoxy)ethenylamino]acetic acid

C6H12N2O3 — CID 87073627

IUPAC2-[1-(1-aminoethoxy)ethenylamino]acetic acid
SMILESC=C(NCC(=O)O)OC(C)N
InChIInChI=1S/C6H12N2O3/c1-4(7)11-5(2)8-3-6(9)10/h4,8H,2-3,7H2,1H3,(H,9,10)
InChIKeyLYPQKVOAQZLLMV-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.55
Rot. Bonds5

About 2-[1-(1-aminoethoxy)ethenylamino]acetic acid

2-[1-(1-aminoethoxy)ethenylamino]acetic acid (PubChem CID 87073627) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[1-(1-aminoethoxy)ethenylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminoethoxy)ethenylamino]acetic acid
PubChem CID87073627
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-[1-(1-aminoethoxy)ethenylamino]acetic acid
SMILESC=C(NCC(=O)O)OC(C)N
InChIInChI=1S/C6H12N2O3/c1-4(7)11-5(2)8-3-6(9)10/h4,8H,2-3,7H2,1H3,(H,9,10)
InChIKeyLYPQKVOAQZLLMV-UHFFFAOYSA-N
XLogP-0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethoxy)ethenylamino]acetic acid?
The IUPAC name of 2-[1-(1-aminoethoxy)ethenylamino]acetic acid (CID 87073627) is 2-[1-(1-aminoethoxy)ethenylamino]acetic acid.
What is the SMILES notation for 2-[1-(1-aminoethoxy)ethenylamino]acetic acid?
The canonical SMILES for 2-[1-(1-aminoethoxy)ethenylamino]acetic acid is C=C(NCC(=O)O)OC(C)N.
What is the InChIKey of 2-[1-(1-aminoethoxy)ethenylamino]acetic acid?
The InChIKey is LYPQKVOAQZLLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(7)11-5(2)8-3-6(9)10/h4,8H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 2-[1-(1-aminoethoxy)ethenylamino]acetic acid?
2-[1-(1-aminoethoxy)ethenylamino]acetic acid has a molecular weight of 160.17 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethoxy)ethenylamino]acetic acid is sourced from PubChem (CID 87073627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).