(E)-4-amino-2-methylbut-2-enoic acid

C5H9NO2 — CID 10103145

IUPAC(E)-4-amino-2-methylbut-2-enoic acid
SMILESC/C(=C\CN)C(=O)O
InChIInChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h2H,3,6H2,1H3,(H,7,8)/b4-2+
InChIKeyTVVRNFOZHWBSAV-DUXPYHPUSA-N
MW115.13 g/mol
LogP-0.02
Rot. Bonds2

About (E)-4-amino-2-methylbut-2-enoic acid

(E)-4-amino-2-methylbut-2-enoic acid (PubChem CID 10103145) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (E)-4-amino-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-amino-2-methylbut-2-enoic acid
PubChem CID10103145
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(E)-4-amino-2-methylbut-2-enoic acid
SMILESC/C(=C\CN)C(=O)O
InChIInChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h2H,3,6H2,1H3,(H,7,8)/b4-2+
InChIKeyTVVRNFOZHWBSAV-DUXPYHPUSA-N
XLogP-0.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-2-methylbut-2-enoic acid?
The IUPAC name of (E)-4-amino-2-methylbut-2-enoic acid (CID 10103145) is (E)-4-amino-2-methylbut-2-enoic acid.
What is the SMILES notation for (E)-4-amino-2-methylbut-2-enoic acid?
The canonical SMILES for (E)-4-amino-2-methylbut-2-enoic acid is C/C(=C\CN)C(=O)O.
What is the InChIKey of (E)-4-amino-2-methylbut-2-enoic acid?
The InChIKey is TVVRNFOZHWBSAV-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h2H,3,6H2,1H3,(H,7,8)/b4-2+.
What are the key properties of (E)-4-amino-2-methylbut-2-enoic acid?
(E)-4-amino-2-methylbut-2-enoic acid has a molecular weight of 115.13 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-2-methylbut-2-enoic acid is sourced from PubChem (CID 10103145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).