2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid

C6H10N2O4 — CID 45482725

IUPAC2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid
SMILESCCNC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C6H10N2O4/c1-2-7-5(11)6(12)8-3-4(9)10/h2-3H2,1H3,(H,7,11)(H,8,12)(H,9,10)
InChIKeyNGBDEGLZJKBFLH-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.68
Rot. Bonds3

About 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid

2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid (PubChem CID 45482725) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid
PubChem CID45482725
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid
SMILESCCNC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C6H10N2O4/c1-2-7-5(11)6(12)8-3-4(9)10/h2-3H2,1H3,(H,7,11)(H,8,12)(H,9,10)
InChIKeyNGBDEGLZJKBFLH-UHFFFAOYSA-N
XLogP-1.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid (CID 45482725) is 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid is CCNC(=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid?
The InChIKey is NGBDEGLZJKBFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-2-7-5(11)6(12)8-3-4(9)10/h2-3H2,1H3,(H,7,11)(H,8,12)(H,9,10).
What are the key properties of 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid?
2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid has a molecular weight of 174.16 g/mol, XLogP of -1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-2-oxoacetyl]amino]acetic acid is sourced from PubChem (CID 45482725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).