2-(diacetamidoamino)acetic acid

C6H11N3O4 — CID 87876614

IUPAC2-(diacetamidoamino)acetic acid
SMILESCC(=O)NN(CC(=O)O)NC(C)=O
InChIInChI=1S/C6H11N3O4/c1-4(10)7-9(3-6(12)13)8-5(2)11/h3H2,1-2H3,(H,7,10)(H,8,11)(H,12,13)
InChIKeySKINTKMBIGMSIC-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.52
Rot. Bonds4

About 2-(diacetamidoamino)acetic acid

2-(diacetamidoamino)acetic acid (PubChem CID 87876614) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-(diacetamidoamino)acetic acid.

Molecular Properties

Compound Name2-(diacetamidoamino)acetic acid
PubChem CID87876614
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-(diacetamidoamino)acetic acid
SMILESCC(=O)NN(CC(=O)O)NC(C)=O
InChIInChI=1S/C6H11N3O4/c1-4(10)7-9(3-6(12)13)8-5(2)11/h3H2,1-2H3,(H,7,10)(H,8,11)(H,12,13)
InChIKeySKINTKMBIGMSIC-UHFFFAOYSA-N
XLogP-1.52
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.52
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-(diacetamidoamino)acetic acid?
The IUPAC name of 2-(diacetamidoamino)acetic acid (CID 87876614) is 2-(diacetamidoamino)acetic acid.
What is the SMILES notation for 2-(diacetamidoamino)acetic acid?
The canonical SMILES for 2-(diacetamidoamino)acetic acid is CC(=O)NN(CC(=O)O)NC(C)=O.
What is the InChIKey of 2-(diacetamidoamino)acetic acid?
The InChIKey is SKINTKMBIGMSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-4(10)7-9(3-6(12)13)8-5(2)11/h3H2,1-2H3,(H,7,10)(H,8,11)(H,12,13).
What are the key properties of 2-(diacetamidoamino)acetic acid?
2-(diacetamidoamino)acetic acid has a molecular weight of 189.17 g/mol, XLogP of -1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diacetamidoamino)acetic acid is sourced from PubChem (CID 87876614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).