2-aminoacetic acid;buta-1,3-diene

C6H11NO2 — CID 87205631

IUPAC2-aminoacetic acid;buta-1,3-diene
SMILESC=CC=C.NCC(=O)O
InChIInChI=1S/C4H6.C2H5NO2/c1-3-4-2;3-1-2(4)5/h3-4H,1-2H2;1,3H2,(H,4,5)
InChIKeyVXLRKSFIERWMGU-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.39
Rot. Bonds2

About 2-aminoacetic acid;buta-1,3-diene

2-aminoacetic acid;buta-1,3-diene (PubChem CID 87205631) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-aminoacetic acid;buta-1,3-diene.

Molecular Properties

Compound Name2-aminoacetic acid;buta-1,3-diene
PubChem CID87205631
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-aminoacetic acid;buta-1,3-diene
SMILESC=CC=C.NCC(=O)O
InChIInChI=1S/C4H6.C2H5NO2/c1-3-4-2;3-1-2(4)5/h3-4H,1-2H2;1,3H2,(H,4,5)
InChIKeyVXLRKSFIERWMGU-UHFFFAOYSA-N
XLogP0.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;buta-1,3-diene 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-aminoacetic acid;prop-2-enamide
CID 87241070
2-aminoacetic acid;azane;ethene
CID 174860038
2-aminoacetic acid;cadmium
CID 87269769
bis(2-aminoacetic acid);copper
CID 50912486
(2-aminoacetic acid);carbonic acid
CID 173312624
buta-1,3-diene;propanedioic acid
CID 122461573
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;oxocopper
CID 158791680
tetraazanium;zinc;bis(2-aminoacetic acid)
CID 72715319
2-aminoacetic acid;iron;nickel
CID 175589238

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;buta-1,3-diene?
The IUPAC name of 2-aminoacetic acid;buta-1,3-diene (CID 87205631) is 2-aminoacetic acid;buta-1,3-diene.
What is the SMILES notation for 2-aminoacetic acid;buta-1,3-diene?
The canonical SMILES for 2-aminoacetic acid;buta-1,3-diene is C=CC=C.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;buta-1,3-diene?
The InChIKey is VXLRKSFIERWMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C2H5NO2/c1-3-4-2;3-1-2(4)5/h3-4H,1-2H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;buta-1,3-diene?
2-aminoacetic acid;buta-1,3-diene has a molecular weight of 129.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;buta-1,3-diene is sourced from PubChem (CID 87205631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).