2-acetamidoprop-2-enoic acid;2-aminoacetic acid

C7H12N2O5 — CID 22074840

IUPAC2-acetamidoprop-2-enoic acid;2-aminoacetic acid
SMILESC=C(NC(C)=O)C(=O)O.NCC(=O)O
InChIInChI=1S/C5H7NO3.C2H5NO2/c1-3(5(8)9)6-4(2)7;3-1-2(4)5/h1H2,2H3,(H,6,7)(H,8,9);1,3H2,(H,4,5)
InChIKeyLDCCYVJECJDMPS-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.25
Rot. Bonds3

About 2-acetamidoprop-2-enoic acid;2-aminoacetic acid

2-acetamidoprop-2-enoic acid;2-aminoacetic acid (PubChem CID 22074840) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-acetamidoprop-2-enoic acid;2-aminoacetic acid.

Molecular Properties

Compound Name2-acetamidoprop-2-enoic acid;2-aminoacetic acid
PubChem CID22074840
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-acetamidoprop-2-enoic acid;2-aminoacetic acid
SMILESC=C(NC(C)=O)C(=O)O.NCC(=O)O
InChIInChI=1S/C5H7NO3.C2H5NO2/c1-3(5(8)9)6-4(2)7;3-1-2(4)5/h1H2,2H3,(H,6,7)(H,8,9);1,3H2,(H,4,5)
InChIKeyLDCCYVJECJDMPS-UHFFFAOYSA-N
XLogP-1.25
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-acetamidoprop-2-enoic acid;2-aminoacetic 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-acetamidoprop-2-enoic acid;2-aminoacetic acid?
The IUPAC name of 2-acetamidoprop-2-enoic acid;2-aminoacetic acid (CID 22074840) is 2-acetamidoprop-2-enoic acid;2-aminoacetic acid.
What is the SMILES notation for 2-acetamidoprop-2-enoic acid;2-aminoacetic acid?
The canonical SMILES for 2-acetamidoprop-2-enoic acid;2-aminoacetic acid is C=C(NC(C)=O)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-acetamidoprop-2-enoic acid;2-aminoacetic acid?
The InChIKey is LDCCYVJECJDMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.C2H5NO2/c1-3(5(8)9)6-4(2)7;3-1-2(4)5/h1H2,2H3,(H,6,7)(H,8,9);1,3H2,(H,4,5).
What are the key properties of 2-acetamidoprop-2-enoic acid;2-aminoacetic acid?
2-acetamidoprop-2-enoic acid;2-aminoacetic acid has a molecular weight of 204.18 g/mol, XLogP of -1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoprop-2-enoic acid;2-aminoacetic acid is sourced from PubChem (CID 22074840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).