amino butanoate;2-methylprop-2-enoic acid

C8H15NO4 — CID 174862062

IUPACamino butanoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCC(=O)ON
InChIInChI=1S/C4H9NO2.C4H6O2/c1-2-3-4(6)7-5;1-3(2)4(5)6/h2-3,5H2,1H3;1H2,2H3,(H,5,6)
InChIKeyFWBOAGIXGCJOBB-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.85
Rot. Bonds3

About amino butanoate;2-methylprop-2-enoic acid

amino butanoate;2-methylprop-2-enoic acid (PubChem CID 174862062) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is amino butanoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameamino butanoate;2-methylprop-2-enoic acid
PubChem CID174862062
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameamino butanoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCC(=O)ON
InChIInChI=1S/C4H9NO2.C4H6O2/c1-2-3-4(6)7-5;1-3(2)4(5)6/h2-3,5H2,1H3;1H2,2H3,(H,5,6)
InChIKeyFWBOAGIXGCJOBB-UHFFFAOYSA-N
XLogP0.85
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze amino butanoate;2-methylprop-2-enoic 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-methylprop-2-enoic acid;pentan-2-one
CID 159816457
2-methylprop-2-enoyl butanoate
CID 19018301
(4-methyl-3-oxopent-4-enyl) butanoate
CID 170015933
CID 173413432
CID 173413432
2-methylprop-2-enoyl butanoate;zirconium
CID 87105460
2-methylprop-2-enoic acid;octacosane
CID 158715869
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
butanedioic acid;bis(2-methylprop-2-enoic acid)
CID 87659592
ethenamine;2-methylprop-2-enoic acid
CID 18702482
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
ethyl 4-oxobutanoate;2-methylprop-2-enoic acid
CID 175264095
2-methylprop-2-enoic acid;triethoxy(propyl)silane
CID 87573070

Frequently Asked Questions

What is the IUPAC name of amino butanoate;2-methylprop-2-enoic acid?
The IUPAC name of amino butanoate;2-methylprop-2-enoic acid (CID 174862062) is amino butanoate;2-methylprop-2-enoic acid.
What is the SMILES notation for amino butanoate;2-methylprop-2-enoic acid?
The canonical SMILES for amino butanoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCCC(=O)ON.
What is the InChIKey of amino butanoate;2-methylprop-2-enoic acid?
The InChIKey is FWBOAGIXGCJOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C4H6O2/c1-2-3-4(6)7-5;1-3(2)4(5)6/h2-3,5H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of amino butanoate;2-methylprop-2-enoic acid?
amino butanoate;2-methylprop-2-enoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino butanoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 174862062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).