(E)-4-aminobut-2-enoic acid

C4H7NO2 — CID 5310987

IUPAC(E)-4-aminobut-2-enoic acid
SMILESNC/C=C/C(=O)O
InChIInChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
InChIKeyFMKJUUQOYOHLTF-OWOJBTEDSA-N
MW101.10 g/mol
LogP-0.41
Rot. Bonds2

About (E)-4-aminobut-2-enoic acid

(E)-4-aminobut-2-enoic acid (PubChem CID 5310987) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (E)-4-aminobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-aminobut-2-enoic acid
PubChem CID5310987
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(E)-4-aminobut-2-enoic acid
SMILESNC/C=C/C(=O)O
InChIInChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
InChIKeyFMKJUUQOYOHLTF-OWOJBTEDSA-N
XLogP-0.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.41
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-aminobut-2-enoic acid?
The IUPAC name of (E)-4-aminobut-2-enoic acid (CID 5310987) is (E)-4-aminobut-2-enoic acid.
What is the SMILES notation for (E)-4-aminobut-2-enoic acid?
The canonical SMILES for (E)-4-aminobut-2-enoic acid is NC/C=C/C(=O)O.
What is the InChIKey of (E)-4-aminobut-2-enoic acid?
The InChIKey is FMKJUUQOYOHLTF-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+.
What are the key properties of (E)-4-aminobut-2-enoic acid?
(E)-4-aminobut-2-enoic acid has a molecular weight of 101.10 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-aminobut-2-enoic acid is sourced from PubChem (CID 5310987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).