2-[acetamido(ethyl)amino]acetic acid

C6H12N2O3 — CID 22558290

IUPAC2-[acetamido(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)NC(C)=O
InChIInChI=1S/C6H12N2O3/c1-3-8(4-6(10)11)7-5(2)9/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKeyDWFRXPGSLZHKTM-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.56
Rot. Bonds4

About 2-[acetamido(ethyl)amino]acetic acid

2-[acetamido(ethyl)amino]acetic acid (PubChem CID 22558290) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[acetamido(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetamido(ethyl)amino]acetic acid
PubChem CID22558290
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-[acetamido(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)NC(C)=O
InChIInChI=1S/C6H12N2O3/c1-3-8(4-6(10)11)7-5(2)9/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKeyDWFRXPGSLZHKTM-UHFFFAOYSA-N
XLogP-0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[acetamido(ethyl)amino]acetic acid?
The IUPAC name of 2-[acetamido(ethyl)amino]acetic acid (CID 22558290) is 2-[acetamido(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[acetamido(ethyl)amino]acetic acid?
The canonical SMILES for 2-[acetamido(ethyl)amino]acetic acid is CCN(CC(=O)O)NC(C)=O.
What is the InChIKey of 2-[acetamido(ethyl)amino]acetic acid?
The InChIKey is DWFRXPGSLZHKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-8(4-6(10)11)7-5(2)9/h3-4H2,1-2H3,(H,7,9)(H,10,11).
What are the key properties of 2-[acetamido(ethyl)amino]acetic acid?
2-[acetamido(ethyl)amino]acetic acid has a molecular weight of 160.17 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido(ethyl)amino]acetic acid is sourced from PubChem (CID 22558290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).