2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid

C7H11N3O3 — CID 107440314

IUPAC2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid
SMILESCC(C#N)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(2-8)10(3-6(9)11)4-7(12)13/h5H,3-4H2,1H3,(H2,9,11)(H,12,13)
InChIKeyHLDGQYONHVNTMG-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.23
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid (PubChem CID 107440314) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid
PubChem CID107440314
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid
SMILESCC(C#N)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(2-8)10(3-6(9)11)4-7(12)13/h5H,3-4H2,1H3,(H2,9,11)(H,12,13)
InChIKeyHLDGQYONHVNTMG-UHFFFAOYSA-N
XLogP-1.23
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)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-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid (CID 107440314) is 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid is CC(C#N)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid?
The InChIKey is HLDGQYONHVNTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5(2-8)10(3-6(9)11)4-7(12)13/h5H,3-4H2,1H3,(H2,9,11)(H,12,13).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid is sourced from PubChem (CID 107440314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).