2-[acetamido-(2-aminoacetyl)amino]acetic acid

C6H11N3O4 — CID 123605952

IUPAC2-[acetamido-(2-aminoacetyl)amino]acetic acid
SMILESCC(=O)NN(CC(=O)O)C(=O)CN
InChIInChI=1S/C6H11N3O4/c1-4(10)8-9(3-6(12)13)5(11)2-7/h2-3,7H2,1H3,(H,8,10)(H,12,13)
InChIKeyNKPZBCHCWUVYPC-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.09
Rot. Bonds3

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

2-[acetamido-(2-aminoacetyl)amino]acetic acid (PubChem CID 123605952) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[acetamido-(2-aminoacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetamido-(2-aminoacetyl)amino]acetic acid
PubChem CID123605952
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-[acetamido-(2-aminoacetyl)amino]acetic acid
SMILESCC(=O)NN(CC(=O)O)C(=O)CN
InChIInChI=1S/C6H11N3O4/c1-4(10)8-9(3-6(12)13)5(11)2-7/h2-3,7H2,1H3,(H,8,10)(H,12,13)
InChIKeyNKPZBCHCWUVYPC-UHFFFAOYSA-N
XLogP-2.09
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-aminoacetyl)amino]acetic acid?
The IUPAC name of 2-[acetamido-(2-aminoacetyl)amino]acetic acid (CID 123605952) is 2-[acetamido-(2-aminoacetyl)amino]acetic acid.
What is the SMILES notation for 2-[acetamido-(2-aminoacetyl)amino]acetic acid?
The canonical SMILES for 2-[acetamido-(2-aminoacetyl)amino]acetic acid is CC(=O)NN(CC(=O)O)C(=O)CN.
What is the InChIKey of 2-[acetamido-(2-aminoacetyl)amino]acetic acid?
The InChIKey is NKPZBCHCWUVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-4(10)8-9(3-6(12)13)5(11)2-7/h2-3,7H2,1H3,(H,8,10)(H,12,13).
What are the key properties of 2-[acetamido-(2-aminoacetyl)amino]acetic acid?
2-[acetamido-(2-aminoacetyl)amino]acetic acid has a molecular weight of 189.17 g/mol, XLogP of -2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido-(2-aminoacetyl)amino]acetic acid is sourced from PubChem (CID 123605952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).