2-aminobutanoic acid;2-methylprop-2-enoic acid

C8H15NO4 — CID 161129910

IUPAC2-aminobutanoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCC(N)C(=O)O
InChIInChI=1S/C4H9NO2.C4H6O2/c1-2-3(5)4(6)7;1-3(2)4(5)6/h3H,2,5H2,1H3,(H,6,7);1H2,2H3,(H,5,6)
InChIKeyUMAVHKHNVVHEDI-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.46
Rot. Bonds3

About 2-aminobutanoic acid;2-methylprop-2-enoic acid

2-aminobutanoic acid;2-methylprop-2-enoic acid (PubChem CID 161129910) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-aminobutanoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-aminobutanoic acid;2-methylprop-2-enoic acid
PubChem CID161129910
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-aminobutanoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCC(N)C(=O)O
InChIInChI=1S/C4H9NO2.C4H6O2/c1-2-3(5)4(6)7;1-3(2)4(5)6/h3H,2,5H2,1H3,(H,6,7);1H2,2H3,(H,5,6)
InChIKeyUMAVHKHNVVHEDI-UHFFFAOYSA-N
XLogP0.46
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 118275559
CID 173413432
CID 173413432
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CID 174714333
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Frequently Asked Questions

What is the IUPAC name of 2-aminobutanoic acid;2-methylprop-2-enoic acid?
The IUPAC name of 2-aminobutanoic acid;2-methylprop-2-enoic acid (CID 161129910) is 2-aminobutanoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-aminobutanoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 2-aminobutanoic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCC(N)C(=O)O.
What is the InChIKey of 2-aminobutanoic acid;2-methylprop-2-enoic acid?
The InChIKey is UMAVHKHNVVHEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C4H6O2/c1-2-3(5)4(6)7;1-3(2)4(5)6/h3H,2,5H2,1H3,(H,6,7);1H2,2H3,(H,5,6).
What are the key properties of 2-aminobutanoic acid;2-methylprop-2-enoic acid?
2-aminobutanoic acid;2-methylprop-2-enoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 161129910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).