2-(2,2-diacetamidopropanoylamino)acetic acid

C9H15N3O5 — CID 82254402

IUPAC2-(2,2-diacetamidopropanoylamino)acetic acid
SMILESCC(=O)NC(C)(NC(C)=O)C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O5/c1-5(13)11-9(3,12-6(2)14)8(17)10-4-7(15)16/h4H2,1-3H3,(H,10,17)(H,11,13)(H,12,14)(H,15,16)
InChIKeyMTVGPZAASOTWAD-UHFFFAOYSA-N
MW245.23 g/mol
LogP-1.82
Rot. Bonds5

About 2-(2,2-diacetamidopropanoylamino)acetic acid

2-(2,2-diacetamidopropanoylamino)acetic acid (PubChem CID 82254402) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(2,2-diacetamidopropanoylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2-diacetamidopropanoylamino)acetic acid
PubChem CID82254402
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-(2,2-diacetamidopropanoylamino)acetic acid
SMILESCC(=O)NC(C)(NC(C)=O)C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O5/c1-5(13)11-9(3,12-6(2)14)8(17)10-4-7(15)16/h4H2,1-3H3,(H,10,17)(H,11,13)(H,12,14)(H,15,16)
InChIKeyMTVGPZAASOTWAD-UHFFFAOYSA-N
XLogP-1.82
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2,2-diacetamidopropanoylamino)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

Related Compounds

2-[(2-methoxy-2-methylpropanoyl)amino]acetic acid
CID 115909635
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
2-(2,2-diethylbutanoylamino)acetic acid
CID 88907471
2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
CID 62677817
2-acetamidoacetic acid;dihydroxy(oxo)phosphanium
CID 87990829
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
2-(oxaldehydoylamino)acetic acid
CID 18960539
2-[(3-acetylsulfanyl-3-methylbutanoyl)amino]acetic acid
CID 54424453
N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 86184993
2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 160881248
2-[[2-(diacetylamino)acetyl]amino]acetic acid
CID 87300850

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diacetamidopropanoylamino)acetic acid?
The IUPAC name of 2-(2,2-diacetamidopropanoylamino)acetic acid (CID 82254402) is 2-(2,2-diacetamidopropanoylamino)acetic acid.
What is the SMILES notation for 2-(2,2-diacetamidopropanoylamino)acetic acid?
The canonical SMILES for 2-(2,2-diacetamidopropanoylamino)acetic acid is CC(=O)NC(C)(NC(C)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-(2,2-diacetamidopropanoylamino)acetic acid?
The InChIKey is MTVGPZAASOTWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-5(13)11-9(3,12-6(2)14)8(17)10-4-7(15)16/h4H2,1-3H3,(H,10,17)(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-(2,2-diacetamidopropanoylamino)acetic acid?
2-(2,2-diacetamidopropanoylamino)acetic acid has a molecular weight of 245.23 g/mol, XLogP of -1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diacetamidopropanoylamino)acetic acid is sourced from PubChem (CID 82254402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).