4-[[(E)-but-2-enyl]amino]butanoic acid

C8H15NO2 — CID 24694538

IUPAC4-[[(E)-but-2-enyl]amino]butanoic acid
SMILESC/C=C/CNCCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-6-9-7-4-5-8(10)11/h2-3,9H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyQVXNKBFWFQDQBD-NSCUHMNNSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds6

About 4-[[(E)-but-2-enyl]amino]butanoic acid

4-[[(E)-but-2-enyl]amino]butanoic acid (PubChem CID 24694538) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-[[(E)-but-2-enyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(E)-but-2-enyl]amino]butanoic acid
PubChem CID24694538
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-[[(E)-but-2-enyl]amino]butanoic acid
SMILESC/C=C/CNCCCC(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-6-9-7-4-5-8(10)11/h2-3,9H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyQVXNKBFWFQDQBD-NSCUHMNNSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-but-2-enyl]amino]butanoic acid?
The IUPAC name of 4-[[(E)-but-2-enyl]amino]butanoic acid (CID 24694538) is 4-[[(E)-but-2-enyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(E)-but-2-enyl]amino]butanoic acid?
The canonical SMILES for 4-[[(E)-but-2-enyl]amino]butanoic acid is C/C=C/CNCCCC(=O)O.
What is the InChIKey of 4-[[(E)-but-2-enyl]amino]butanoic acid?
The InChIKey is QVXNKBFWFQDQBD-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-6-9-7-4-5-8(10)11/h2-3,9H,4-7H2,1H3,(H,10,11)/b3-2+.
What are the key properties of 4-[[(E)-but-2-enyl]amino]butanoic acid?
4-[[(E)-but-2-enyl]amino]butanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-but-2-enyl]amino]butanoic acid is sourced from PubChem (CID 24694538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).